2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol

C15H26O — CID 54239830

IUPAC2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol
SMILESCC=C(CC(C)CO)[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O/c1-6-13(9-11(2)10-16)14-8-7-12(3)15(14,4)5/h6-7,11,14,16H,8-10H2,1-5H3/t11?,14-/m1/s1
InChIKeyQPFHOMDSYXGJEN-SBXXRYSUSA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol

2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol (PubChem CID 54239830) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol
PubChem CID54239830
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol
SMILESCC=C(CC(C)CO)[C@H]1CC=C(C)C1(C)C
InChIInChI=1S/C15H26O/c1-6-13(9-11(2)10-16)14-8-7-12(3)15(14,4)5/h6-7,11,14,16H,8-10H2,1-5H3/t11?,14-/m1/s1
InChIKeyQPFHOMDSYXGJEN-SBXXRYSUSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol?
The IUPAC name of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol (CID 54239830) is 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol.
What is the SMILES notation for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol?
The canonical SMILES for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol is CC=C(CC(C)CO)[C@H]1CC=C(C)C1(C)C.
What is the InChIKey of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol?
The InChIKey is QPFHOMDSYXGJEN-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H26O/c1-6-13(9-11(2)10-16)14-8-7-12(3)15(14,4)5/h6-7,11,14,16H,8-10H2,1-5H3/t11?,14-/m1/s1.
What are the key properties of 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol?
2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]hex-4-en-1-ol is sourced from PubChem (CID 54239830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).