2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol

C14H26O — CID 25076605

IUPAC2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol
SMILESCC1C=C(CC(C)CO)C(C(C)C)CC1
InChIInChI=1S/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3
InChIKeyKVQDTABZFLWZRH-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.63
Rot. Bonds4

About 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol

2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol (PubChem CID 25076605) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol
PubChem CID25076605
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol
SMILESCC1C=C(CC(C)CO)C(C(C)C)CC1
InChIInChI=1S/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3
InChIKeyKVQDTABZFLWZRH-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol (CID 25076605) is 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol is CC1C=C(CC(C)CO)C(C(C)C)CC1.
What is the InChIKey of 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol?
The InChIKey is KVQDTABZFLWZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h7,10-12,14-15H,5-6,8-9H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol?
2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-6-propan-2-ylcyclohexen-1-yl)propan-1-ol is sourced from PubChem (CID 25076605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).