1-methoxy-3,5-dimethylhex-4-en-3-ol

C9H18O2 — CID 79190335

IUPAC1-methoxy-3,5-dimethylhex-4-en-3-ol
SMILESCOCCC(C)(O)C=C(C)C
InChIInChI=1S/C9H18O2/c1-8(2)7-9(3,10)5-6-11-4/h7,10H,5-6H2,1-4H3
InChIKeyCNOXVLNKYYTEFR-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds4

About 1-methoxy-3,5-dimethylhex-4-en-3-ol

1-methoxy-3,5-dimethylhex-4-en-3-ol (PubChem CID 79190335) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-methoxy-3,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name1-methoxy-3,5-dimethylhex-4-en-3-ol
PubChem CID79190335
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-methoxy-3,5-dimethylhex-4-en-3-ol
SMILESCOCCC(C)(O)C=C(C)C
InChIInChI=1S/C9H18O2/c1-8(2)7-9(3,10)5-6-11-4/h7,10H,5-6H2,1-4H3
InChIKeyCNOXVLNKYYTEFR-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
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

1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
2,4,6,6-tetramethylhept-2-en-4-ol
CID 130892314
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
3-hydroxy-3,5-dimethylhex-4-enoic acid
CID 65440645
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
CID 59070037
CID 59070037
6-methoxy-3-methylhexan-3-ol
CID 114851780
1-methoxy-3,6-dimethylhept-6-en-4-yn-3-ol
CID 71360956
1-methoxy-5-(methoxymethoxy)-3-methylpentan-3-ol
CID 134861887
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
1-methoxy-3,7-dimethylocta-1,6-dien-3-ol
CID 154089045
methyl 3,3,5-trimethylhex-4-enoate
CID 22322855

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,5-dimethylhex-4-en-3-ol?
The IUPAC name of 1-methoxy-3,5-dimethylhex-4-en-3-ol (CID 79190335) is 1-methoxy-3,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 1-methoxy-3,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 1-methoxy-3,5-dimethylhex-4-en-3-ol is COCCC(C)(O)C=C(C)C.
What is the InChIKey of 1-methoxy-3,5-dimethylhex-4-en-3-ol?
The InChIKey is CNOXVLNKYYTEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(2)7-9(3,10)5-6-11-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-3,5-dimethylhex-4-en-3-ol?
1-methoxy-3,5-dimethylhex-4-en-3-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 79190335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).