(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol

C14H26O — CID 67561791

IUPAC(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol
SMILESCCCC(CC)C1CC=C(CO)CC1C
InChIInChI=1S/C14H26O/c1-4-6-13(5-2)14-8-7-12(10-15)9-11(14)3/h7,11,13-15H,4-6,8-10H2,1-3H3
InChIKeyMYBVFNICLMTNQY-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds5

About (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol

(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol (PubChem CID 67561791) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol
PubChem CID67561791
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol
SMILESCCCC(CC)C1CC=C(CO)CC1C
InChIInChI=1S/C14H26O/c1-4-6-13(5-2)14-8-7-12(10-15)9-11(14)3/h7,11,13-15H,4-6,8-10H2,1-3H3
InChIKeyMYBVFNICLMTNQY-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
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 (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol?
The IUPAC name of (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol (CID 67561791) is (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol.
What is the SMILES notation for (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol?
The canonical SMILES for (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol is CCCC(CC)C1CC=C(CO)CC1C.
What is the InChIKey of (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol?
The InChIKey is MYBVFNICLMTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-13(5-2)14-8-7-12(10-15)9-11(14)3/h7,11,13-15H,4-6,8-10H2,1-3H3.
What are the key properties of (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol?
(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol is sourced from PubChem (CID 67561791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).