1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol

C14H26O — CID 72951939

IUPAC1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESC=CC(C)C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-6-12(5)14(15)9-11(4)7-8-13(14)10(2)3/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyWCMAEEUFQIRPIB-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.63
Rot. Bonds3

About 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 72951939) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID72951939
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESC=CC(C)C1(O)CC(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-6-12(5)14(15)9-11(4)7-8-13(14)10(2)3/h6,10-13,15H,1,7-9H2,2-5H3
InChIKeyWCMAEEUFQIRPIB-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.63
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 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 72951939) is 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol is C=CC(C)C1(O)CC(C)CCC1C(C)C.
What is the InChIKey of 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is WCMAEEUFQIRPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-6-12(5)14(15)9-11(4)7-8-13(14)10(2)3/h6,10-13,15H,1,7-9H2,2-5H3.
What are the key properties of 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 72951939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).