1-[1,1-di(propan-2-yloxy)decyl]cyclohexene

C22H42O2 — CID 150635627

IUPAC1-[1,1-di(propan-2-yloxy)decyl]cyclohexene
SMILESCCCCCCCCCC(OC(C)C)(OC(C)C)C1=CCCCC1
InChIInChI=1S/C22H42O2/c1-6-7-8-9-10-11-15-18-22(23-19(2)3,24-20(4)5)21-16-13-12-14-17-21/h16,19-20H,6-15,17-18H2,1-5H3
InChIKeyIYVAOEQFHXFLCU-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.17
Rot. Bonds13

About 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene

1-[1,1-di(propan-2-yloxy)decyl]cyclohexene (PubChem CID 150635627) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene.

Molecular Properties

Compound Name1-[1,1-di(propan-2-yloxy)decyl]cyclohexene
PubChem CID150635627
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name1-[1,1-di(propan-2-yloxy)decyl]cyclohexene
SMILESCCCCCCCCCC(OC(C)C)(OC(C)C)C1=CCCCC1
InChIInChI=1S/C22H42O2/c1-6-7-8-9-10-11-15-18-22(23-19(2)3,24-20(4)5)21-16-13-12-14-17-21/h16,19-20H,6-15,17-18H2,1-5H3
InChIKeyIYVAOEQFHXFLCU-UHFFFAOYSA-N
XLogP7.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene?
The IUPAC name of 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene (CID 150635627) is 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene.
What is the SMILES notation for 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene?
The canonical SMILES for 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene is CCCCCCCCCC(OC(C)C)(OC(C)C)C1=CCCCC1.
What is the InChIKey of 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene?
The InChIKey is IYVAOEQFHXFLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-6-7-8-9-10-11-15-18-22(23-19(2)3,24-20(4)5)21-16-13-12-14-17-21/h16,19-20H,6-15,17-18H2,1-5H3.
What are the key properties of 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene?
1-[1,1-di(propan-2-yloxy)decyl]cyclohexene has a molecular weight of 338.58 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-di(propan-2-yloxy)decyl]cyclohexene is sourced from PubChem (CID 150635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).