2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol

C20H40O2 — CID 174922668

IUPAC2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
SMILESC=CC(C)(O)CCCC(C)C.C=CC(C)CCCC(C)(C)O
InChIInChI=1S/2C10H20O/c1-5-9(2)7-6-8-10(3,4)11;1-5-10(4,11)8-6-7-9(2)3/h2*5,9,11H,1,6-8H2,2-4H3
InChIKeyHXYVPDNIDXXKCK-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.50
Rot. Bonds10

About 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol

2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol (PubChem CID 174922668) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol.

Molecular Properties

Compound Name2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
PubChem CID174922668
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol
SMILESC=CC(C)(O)CCCC(C)C.C=CC(C)CCCC(C)(C)O
InChIInChI=1S/2C10H20O/c1-5-9(2)7-6-8-10(3,4)11;1-5-10(4,11)8-6-7-9(2)3/h2*5,9,11H,1,6-8H2,2-4H3
InChIKeyHXYVPDNIDXXKCK-UHFFFAOYSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 54356105
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CID 25113592
(6E)-3,7,11,15-tetramethylhexadeca-1,6-dien-3-ol
CID 15602246
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(3S,6S)-2,3,6-trimethyloct-7-ene-2,6-diol
CID 134957540
3-(4-tert-butylphenyl)-2-methylpropanal;2,6-dimethyloct-7-en-2-ol
CID 175322908
3,6-dimethylhept-1-ene
CID 18443713
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365
2,6-dimethyloct-7-en-2-yloxymethanethiol
CID 57007334
2,6-dimethyldec-9-en-2-ol
CID 154162071
3,6-dimethylhept-1-ene;ethane
CID 142076338

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol?
The IUPAC name of 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol (CID 174922668) is 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol.
What is the SMILES notation for 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol?
The canonical SMILES for 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol is C=CC(C)(O)CCCC(C)C.C=CC(C)CCCC(C)(C)O.
What is the InChIKey of 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol?
The InChIKey is HXYVPDNIDXXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O/c1-5-9(2)7-6-8-10(3,4)11;1-5-10(4,11)8-6-7-9(2)3/h2*5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol?
2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol has a molecular weight of 312.54 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-7-en-2-ol;3,7-dimethyloct-1-en-3-ol is sourced from PubChem (CID 174922668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).