3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol

C14H26O — CID 25076551

IUPAC3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
SMILESCC1=CCCC(C)(C)C1CC(C)C(C)O
InChIInChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3
InChIKeyAXHHYECTTZUORY-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds3

About 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol

3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol (PubChem CID 25076551) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
PubChem CID25076551
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
SMILESCC1=CCCC(C)(C)C1CC(C)C(C)O
InChIInChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3
InChIKeyAXHHYECTTZUORY-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol?
The IUPAC name of 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol (CID 25076551) is 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol?
The canonical SMILES for 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol is CC1=CCCC(C)(C)C1CC(C)C(C)O.
What is the InChIKey of 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol?
The InChIKey is AXHHYECTTZUORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3.
What are the key properties of 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol?
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol is sourced from PubChem (CID 25076551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).