(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol

C12H20O — CID 5372931

IUPAC(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
SMILESCC1=C(/C=C/CO)C(C)(C)CCC1
InChIInChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,13H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyGFSKLLUNKJXCDN-FNORWQNLSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds2

About (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol

(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol (PubChem CID 5372931) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
PubChem CID5372931
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol
SMILESCC1=C(/C=C/CO)C(C)(C)CCC1
InChIInChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,13H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyGFSKLLUNKJXCDN-FNORWQNLSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol (CID 5372931) is (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol is CC1=C(/C=C/CO)C(C)(C)CCC1.
What is the InChIKey of (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol?
The InChIKey is GFSKLLUNKJXCDN-FNORWQNLSA-N. The full InChI is InChI=1S/C12H20O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,13H,4,6,8-9H2,1-3H3/b7-5+.
What are the key properties of (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol?
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 5372931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).