4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol

C13H20O — CID 14109904

IUPAC4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol
SMILESCC1=CCCC(C)(C)C1=C=CC(C)O
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-7,11,14H,5,9H2,1-4H3
InChIKeyBEIWSNQUQXDKPR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.21
Rot. Bonds1

About 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol

4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol (PubChem CID 14109904) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol.

Molecular Properties

Compound Name4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol
PubChem CID14109904
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol
SMILESCC1=CCCC(C)(C)C1=C=CC(C)O
InChIInChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-7,11,14H,5,9H2,1-4H3
InChIKeyBEIWSNQUQXDKPR-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Retinol
CID 445354
alpha-IONOL
CID 5363817
beta-Ionol, (E)-
CID 5373729
13-cis-Retinol
CID 9904001
Isophorol
CID 79016
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103
2-(3,3-Dimethylcyclohexylidene)ethanol
CID 6449789
9-cis Retinol
CID 1071
Grandlure II
CID 5365896
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264

Frequently Asked Questions

What is the IUPAC name of 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol?
The IUPAC name of 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol (CID 14109904) is 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol.
What is the SMILES notation for 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol?
The canonical SMILES for 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol is CC1=CCCC(C)(C)C1=C=CC(C)O.
What is the InChIKey of 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol?
The InChIKey is BEIWSNQUQXDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-7,11,14H,5,9H2,1-4H3.
What are the key properties of 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol?
4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,6-trimethylcyclohex-2-en-1-ylidene)but-3-en-2-ol is sourced from PubChem (CID 14109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).