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

C14H24O — CID 6437442

IUPAC(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
SMILESCCC(O)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3/b9-8+
InChIKeyDZSNHSUUMHDJRJ-CMDGGOBGSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds3

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

(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol (PubChem CID 6437442) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
PubChem CID6437442
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
SMILESCCC(O)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3/b9-8+
InChIKeyDZSNHSUUMHDJRJ-CMDGGOBGSA-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

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Related Compounds

Retinol
CID 445354
alpha-IONOL
CID 5363817
beta-Ionol, (E)-
CID 5373729
13-cis-Retinol
CID 9904001
Dehydrodihydroionol
CID 62126
Isophorol
CID 79016
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
Isocryptoxanthin
CID 9959307
Isozeaxanthin
CID 11757703
Aleuriaxanthin
CID 131752086
3-Buten-2-ol, 3-methyl-4-[2,6,6-trimethyl-2-cyclohexen-1-yl]-
CID 5370103

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol?
The IUPAC name of (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol (CID 6437442) is (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol.
What is the SMILES notation for (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol?
The canonical SMILES for (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol is CCC(O)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol?
The InChIKey is DZSNHSUUMHDJRJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,12,15H,5-7,10H2,1-4H3/b9-8+.
What are the key properties of (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol?
(E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-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 (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol is sourced from PubChem (CID 6437442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).