2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol

C14H24O — CID 569166

IUPAC2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol
SMILESCC(=CCC1=C(C)CCCC1(C)C)CO
InChIInChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,15H,5-6,8-10H2,1-4H3
InChIKeyWQRBKVJYXWPIHN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol

2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol (PubChem CID 569166) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol
PubChem CID569166
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol
SMILESCC(=CCC1=C(C)CCCC1(C)C)CO
InChIInChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,15H,5-6,8-10H2,1-4H3
InChIKeyWQRBKVJYXWPIHN-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
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-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol?
The IUPAC name of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol (CID 569166) is 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol.
What is the SMILES notation for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol?
The canonical SMILES for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol is CC(=CCC1=C(C)CCCC1(C)C)CO.
What is the InChIKey of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol?
The InChIKey is WQRBKVJYXWPIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,15H,5-6,8-10H2,1-4H3.
What are the key properties of 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol?
2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-ol is sourced from PubChem (CID 569166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).