(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol

C11H22O2 — CID 134957540

IUPAC(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol
SMILESC=C[C@@](C)(O)CC[C@H](C)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-6-11(5,13)8-7-9(2)10(3,4)12/h6,9,12-13H,1,7-8H2,2-5H3/t9-,11+/m0/s1
InChIKeyWQPFFVSJBPGPRC-GXSJLCMTSA-N
MW186.29 g/mol
LogP2.11
Rot. Bonds5

About (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol

(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol (PubChem CID 134957540) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol.

Molecular Properties

Compound Name(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol
PubChem CID134957540
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol
SMILESC=C[C@@](C)(O)CC[C@H](C)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-6-11(5,13)8-7-9(2)10(3,4)12/h6,9,12-13H,1,7-8H2,2-5H3/t9-,11+/m0/s1
InChIKeyWQPFFVSJBPGPRC-GXSJLCMTSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-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

2,6-Dimethyloct-7-ene-2,6-diol
CID 120154
3,7-Dimethyloct-1-en-3-ol
CID 86748
cis-4-Hydroxy-alpha,alpha,4-trimethylcyclohex-2-ene-1-methanol
CID 6431169
2-Cyclohexene-1-methanol, 4-hydroxy-alpha,alpha,4-trimethyl-, (1R,4R)-
CID 6431170
3,7,11-Trimethyldodec-1-en-3-ol
CID 528824
4-Hydroxy-alpha,alpha,4-trimethylcyclohex-2-ene-1-methanol
CID 92632
cis-1,8-Dihydroxymenth-2-ene
CID 12618693
(1S,4S)-4-(2-hydroxypropan-2-yl)-1-methylcyclohex-2-en-1-ol
CID 20837874
3-Ethyloct-1-en-3-ol
CID 87431216
(6R)-2,6-dimethyloct-7-ene-2,6-diol
CID 92261394
2,7-Dimethyl-3-(propan-2-yl)non-8-en-3-ol
CID 13283671
3,4,8-Trimethylnon-1-en-3-ol
CID 85894051

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol?
The IUPAC name of (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol (CID 134957540) is (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol.
What is the SMILES notation for (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol?
The canonical SMILES for (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol is C=C[C@@](C)(O)CC[C@H](C)C(C)(C)O.
What is the InChIKey of (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol?
The InChIKey is WQPFFVSJBPGPRC-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-11(5,13)8-7-9(2)10(3,4)12/h6,9,12-13H,1,7-8H2,2-5H3/t9-,11+/m0/s1.
What are the key properties of (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol?
(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol has a molecular weight of 186.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol is sourced from PubChem (CID 134957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).