3-methoxy-2,5-dimethylhex-5-en-1-ol

C9H18O2 — CID 91615806

IUPAC3-methoxy-2,5-dimethylhex-5-en-1-ol
SMILESC=C(C)CC(OC)C(C)CO
InChIInChI=1S/C9H18O2/c1-7(2)5-9(11-4)8(3)6-10/h8-10H,1,5-6H2,2-4H3
InChIKeyTTXXWXIATRVNMD-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.60
Rot. Bonds5

About 3-methoxy-2,5-dimethylhex-5-en-1-ol

3-methoxy-2,5-dimethylhex-5-en-1-ol (PubChem CID 91615806) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-methoxy-2,5-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name3-methoxy-2,5-dimethylhex-5-en-1-ol
PubChem CID91615806
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-methoxy-2,5-dimethylhex-5-en-1-ol
SMILESC=C(C)CC(OC)C(C)CO
InChIInChI=1S/C9H18O2/c1-7(2)5-9(11-4)8(3)6-10/h8-10H,1,5-6H2,2-4H3
InChIKeyTTXXWXIATRVNMD-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-5-Methyl-2-(1-methylethenyl)-5-hexene-1,4-diol
CID 21575640
(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
CID 641670
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
CID 162946531
2,5-Dimethyl-5-hexen-3-ol
CID 144264
1-Fluoro-3-prop-1-en-2-ylheptan-2-ol
CID 163723980
(2S,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
CID 5479111
3,5-Dimethylhex-5-en-2-ol
CID 61749197
2,5-Dimethyl-3-methylenehexan-1-ol
CID 86653885
(3S,5R)-2-methyloct-7-ene-3,5-diol
CID 11367156
(2S,3R,4S)-2-prop-1-en-2-ylpentane-1,3,4-triol
CID 11816010
4-Methyl-3-methylidenehexane-1,2-diol
CID 12022119
3-Ethyl-2-methylnon-1-en-4-ol
CID 15717616

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,5-dimethylhex-5-en-1-ol?
The IUPAC name of 3-methoxy-2,5-dimethylhex-5-en-1-ol (CID 91615806) is 3-methoxy-2,5-dimethylhex-5-en-1-ol.
What is the SMILES notation for 3-methoxy-2,5-dimethylhex-5-en-1-ol?
The canonical SMILES for 3-methoxy-2,5-dimethylhex-5-en-1-ol is C=C(C)CC(OC)C(C)CO.
What is the InChIKey of 3-methoxy-2,5-dimethylhex-5-en-1-ol?
The InChIKey is TTXXWXIATRVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(2)5-9(11-4)8(3)6-10/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 3-methoxy-2,5-dimethylhex-5-en-1-ol?
3-methoxy-2,5-dimethylhex-5-en-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,5-dimethylhex-5-en-1-ol is sourced from PubChem (CID 91615806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).