2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane

C154H316O — CID 161207911

IUPAC2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCC(C)C.CCCCCCC(O)C/C=C\CCCCCCC(C)C.CCCCCCCC/C=C\CCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCCC(C)C.CCCCCCCCCCC(CCCCCCCCC)C(C)C.CCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H48.C19H38O.C19H40.C19H34.C18H38.C17H34.C15H32.C13H28.C11H24/c1-5-7-9-11-13-15-17-19-21-23(22(3)4)20-18-16-14-12-10-8-6-2;1-4-5-6-13-16-19(20)17-14-11-9-7-8-10-12-15-18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11(2)3/h22-23H,5-21H2,1-4H3;11,14,18-20H,4-10,12-13,15-17H2,1-3H3;19H,4-18H2,1-3H3;5-6,8-9,11-12,19H,4,7,10,13-18H2,1-3H3;18H,4-17H2,1-3H3;11-12,17H,4-10,13-16H2,1-3H3;15H,4-14H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3/b;14-11-;;6-5-,9-8-,12-11-;;12-11-;;;
InChIKeyUVVSIBNQPDMRRR-WRGAASBBSA-N
MW2184.22 g/mol
LogP58.70
Rot. Bonds112

About 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane

2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane (PubChem CID 161207911) has the molecular formula C154H316O and a molecular weight of 2184.22 g/mol. Its IUPAC name is 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane.

Molecular Properties

Compound Name2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane
PubChem CID161207911
Molecular FormulaC154H316O
Molecular Weight2184.22 g/mol
Exact Mass2182.47
IUPAC Name2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCC(C)C.CCCCCCC(O)C/C=C\CCCCCCC(C)C.CCCCCCCC/C=C\CCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCCC(C)C.CCCCCCCCCCC(CCCCCCCCC)C(C)C.CCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C23H48.C19H38O.C19H40.C19H34.C18H38.C17H34.C15H32.C13H28.C11H24/c1-5-7-9-11-13-15-17-19-21-23(22(3)4)20-18-16-14-12-10-8-6-2;1-4-5-6-13-16-19(20)17-14-11-9-7-8-10-12-15-18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11(2)3/h22-23H,5-21H2,1-4H3;11,14,18-20H,4-10,12-13,15-17H2,1-3H3;19H,4-18H2,1-3H3;5-6,8-9,11-12,19H,4,7,10,13-18H2,1-3H3;18H,4-17H2,1-3H3;11-12,17H,4-10,13-16H2,1-3H3;15H,4-14H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3/b;14-11-;;6-5-,9-8-,12-11-;;12-11-;;;
InChIKeyUVVSIBNQPDMRRR-WRGAASBBSA-N
XLogP58.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds112
Heavy Atoms155
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002184.22
LogP ≤ 558.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane?
The IUPAC name of 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane (CID 161207911) is 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane.
What is the SMILES notation for 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane?
The canonical SMILES for 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane is CC/C=C\C/C=C\C/C=C\CCCCCCC(C)C.CCCCCCC(O)C/C=C\CCCCCCC(C)C.CCCCCCCC/C=C\CCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCCC(C)C.CCCCCCCCCCC(CCCCCCCCC)C(C)C.CCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane?
The InChIKey is UVVSIBNQPDMRRR-WRGAASBBSA-N. The full InChI is InChI=1S/C23H48.C19H38O.C19H40.C19H34.C18H38.C17H34.C15H32.C13H28.C11H24/c1-5-7-9-11-13-15-17-19-21-23(22(3)4)20-18-16-14-12-10-8-6-2;1-4-5-6-13-16-19(20)17-14-11-9-7-8-10-12-15-18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11(2)3/h22-23H,5-21H2,1-4H3;11,14,18-20H,4-10,12-13,15-17H2,1-3H3;19H,4-18H2,1-3H3;5-6,8-9,11-12,19H,4,7,10,13-18H2,1-3H3;18H,4-17H2,1-3H3;11-12,17H,4-10,13-16H2,1-3H3;15H,4-14H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3/b;14-11-;;6-5-,9-8-,12-11-;;12-11-;;;.
What are the key properties of 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane?
2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane has a molecular weight of 2184.22 g/mol, XLogP of 58.70, 112 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane is sourced from PubChem (CID 161207911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).