2,3,6,7,10-pentamethyldodec-1-ene;propane

C20H42 — CID 145235190

IUPAC2,3,6,7,10-pentamethyldodec-1-ene;propane
SMILESC=C(C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C17H34.C3H8/c1-8-14(4)9-10-16(6)17(7)12-11-15(5)13(2)3;1-3-2/h14-17H,2,8-12H2,1,3-7H3;3H2,1-2H3
InChIKeyRPCVTZLCCRUOSI-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.49
Rot. Bonds9

About 2,3,6,7,10-pentamethyldodec-1-ene;propane

2,3,6,7,10-pentamethyldodec-1-ene;propane (PubChem CID 145235190) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 2,3,6,7,10-pentamethyldodec-1-ene;propane.

Molecular Properties

Compound Name2,3,6,7,10-pentamethyldodec-1-ene;propane
PubChem CID145235190
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name2,3,6,7,10-pentamethyldodec-1-ene;propane
SMILESC=C(C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C17H34.C3H8/c1-8-14(4)9-10-16(6)17(7)12-11-15(5)13(2)3;1-3-2/h14-17H,2,8-12H2,1,3-7H3;3H2,1-2H3
InChIKeyRPCVTZLCCRUOSI-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(Z)-7,10,11,14-tetramethyl-3,6-dimethylidenehexadec-4-ene
CID 144714644
3-methylhexane;2-methylprop-1-ene
CID 165405684
2,3-dimethylpent-1-ene;ethane
CID 143286891
(E)-11-fluoro-5,6,9,14,17-pentamethyl-10,13-dimethylidenenonadec-11-en-2-ol
CID 145234988
2,4,7,8,9-pentamethylundec-1-ene
CID 90965506
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
3,4-dimethylpent-4-en-1-ol
CID 14417455
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
2,5-dimethylheptane;propane
CID 145235091
(3Z,7E)-8-fluoro-10,13,14,17-tetramethyl-5,6,9-trimethylidenenonadeca-1,3,7-trien-2-ol
CID 142281394

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,10-pentamethyldodec-1-ene;propane?
The IUPAC name of 2,3,6,7,10-pentamethyldodec-1-ene;propane (CID 145235190) is 2,3,6,7,10-pentamethyldodec-1-ene;propane.
What is the SMILES notation for 2,3,6,7,10-pentamethyldodec-1-ene;propane?
The canonical SMILES for 2,3,6,7,10-pentamethyldodec-1-ene;propane is C=C(C)C(C)CCC(C)C(C)CCC(C)CC.CCC.
What is the InChIKey of 2,3,6,7,10-pentamethyldodec-1-ene;propane?
The InChIKey is RPCVTZLCCRUOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34.C3H8/c1-8-14(4)9-10-16(6)17(7)12-11-15(5)13(2)3;1-3-2/h14-17H,2,8-12H2,1,3-7H3;3H2,1-2H3.
What are the key properties of 2,3,6,7,10-pentamethyldodec-1-ene;propane?
2,3,6,7,10-pentamethyldodec-1-ene;propane has a molecular weight of 282.56 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,10-pentamethyldodec-1-ene;propane is sourced from PubChem (CID 145235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).