(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol

C14H24O — CID 11820382

IUPAC(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
SMILESCC1=C(/C=C/C(C)(C)O)C(C)(C)CCC1
InChIInChI=1S/C14H24O/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15/h8,10,15H,6-7,9H2,1-5H3/b10-8+
InChIKeyMFXYEBQJTXYQRG-CSKARUKUSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds2

About (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol

(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol (PubChem CID 11820382) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
PubChem CID11820382
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
SMILESCC1=C(/C=C/C(C)(C)O)C(C)(C)CCC1
InChIInChI=1S/C14H24O/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15/h8,10,15H,6-7,9H2,1-5H3/b10-8+
InChIKeyMFXYEBQJTXYQRG-CSKARUKUSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol with MolForge

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Related Compounds

Retinol
CID 445354
beta-Ionol, (E)-
CID 5373729
13-cis-Retinol
CID 9904001
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 6436846
(R)-2,7(14),9-Bisabolatrien-11-ol
CID 101417476
9-cis Retinol
CID 1071
1-Penten-3-ol, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 109264
(2Z,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 6443049
(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2,4-pentadiene-1-ol
CID 9964517
(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
CID 163019567

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol (CID 11820382) is (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol is CC1=C(/C=C/C(C)(C)O)C(C)(C)CCC1.
What is the InChIKey of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
The InChIKey is MFXYEBQJTXYQRG-CSKARUKUSA-N. The full InChI is InChI=1S/C14H24O/c1-11-7-6-9-13(2,3)12(11)8-10-14(4,5)15/h8,10,15H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol?
(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol is sourced from PubChem (CID 11820382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).