(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol

C14H28O2 — CID 134905987

IUPAC(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
SMILESCC(C)(C)C(O)C/C=C/CC(O)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-8,11-12,15-16H,9-10H2,1-6H3/b8-7+
InChIKeyCWOXCUHSVCLEOT-BQYQJAHWSA-N
MW228.38 g/mol
LogP3.14
Rot. Bonds4

About (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol

(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol (PubChem CID 134905987) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol.

Molecular Properties

Compound Name(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
PubChem CID134905987
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
SMILESCC(C)(C)C(O)C/C=C/CC(O)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-8,11-12,15-16H,9-10H2,1-6H3/b8-7+
InChIKeyCWOXCUHSVCLEOT-BQYQJAHWSA-N
XLogP3.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ebanol
CID 6437266
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 15984303
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
CID 174409
6-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-5-en-3-ol
CID 109412
(1R,2Z,5S,8E)-2,10,10-trimethyl-6-methylidenecycloundeca-2,8-diene-1,5-diol
CID 10060040
2,2-Dimethyl-5-hexen-3-ol
CID 140556
5,5-Dimethyl-3-cyclohexen-1-ol
CID 546038
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
CID 6504499
CID 106813
CID 106813
3,6-Dimethyl-3-vinylhept-5-en-2-ol
CID 3020401
2,5,5-Trimethylhepta-2,6-diene-1,4-diol
CID 57146152

Frequently Asked Questions

What is the IUPAC name of (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol?
The IUPAC name of (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol (CID 134905987) is (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol.
What is the SMILES notation for (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol?
The canonical SMILES for (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol is CC(C)(C)C(O)C/C=C/CC(O)C(C)(C)C.
What is the InChIKey of (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol?
The InChIKey is CWOXCUHSVCLEOT-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H28O2/c1-13(2,3)11(15)9-7-8-10-12(16)14(4,5)6/h7-8,11-12,15-16H,9-10H2,1-6H3/b8-7+.
What are the key properties of (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol?
(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol has a molecular weight of 228.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol is sourced from PubChem (CID 134905987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).