2-methoxy-4-methylpent-1-en-3-ol

C7H14O2 — CID 123487520

IUPAC2-methoxy-4-methylpent-1-en-3-ol
SMILESC=C(OC)C(O)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)7(8)6(3)9-4/h5,7-8H,3H2,1-2,4H3
InChIKeyCUHKLOVZUDNSIQ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.16
Rot. Bonds3

About 2-methoxy-4-methylpent-1-en-3-ol

2-methoxy-4-methylpent-1-en-3-ol (PubChem CID 123487520) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-methoxy-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name2-methoxy-4-methylpent-1-en-3-ol
PubChem CID123487520
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-methoxy-4-methylpent-1-en-3-ol
SMILESC=C(OC)C(O)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)7(8)6(3)9-4/h5,7-8H,3H2,1-2,4H3
InChIKeyCUHKLOVZUDNSIQ-UHFFFAOYSA-N
XLogP1.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-2-methoxy-3-methylpent-4-en-1-ol
CID 124014809
4-Methoxy-2-methylhexa-4,5-dien-3-ol
CID 130130298
2-(3-Hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
CID 18786251
4-Methoxyhexa-4,5-dien-3-ol
CID 44719796
CID 58013917
CID 58013917
(1S)-1-(oxiren-2-yl)propan-1-ol
CID 70404951
(1R)-1-(oxiren-2-yl)propan-1-ol
CID 70405728
(3S)-2-methoxy-5-methylhex-1-en-3-ol
CID 88283906
(3S)-4-methylpent-1-ene-2,3-diol
CID 89229705
4-Methylhexa-1,5-diene-2,3-diol
CID 89661770
1-(4-Methylpent-1-en-2-yloxy)butan-2-ol
CID 122449118
4-Methylhex-1-ene-2,3-diol
CID 124184967

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylpent-1-en-3-ol?
The IUPAC name of 2-methoxy-4-methylpent-1-en-3-ol (CID 123487520) is 2-methoxy-4-methylpent-1-en-3-ol.
What is the SMILES notation for 2-methoxy-4-methylpent-1-en-3-ol?
The canonical SMILES for 2-methoxy-4-methylpent-1-en-3-ol is C=C(OC)C(O)C(C)C.
What is the InChIKey of 2-methoxy-4-methylpent-1-en-3-ol?
The InChIKey is CUHKLOVZUDNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)7(8)6(3)9-4/h5,7-8H,3H2,1-2,4H3.
What are the key properties of 2-methoxy-4-methylpent-1-en-3-ol?
2-methoxy-4-methylpent-1-en-3-ol has a molecular weight of 130.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylpent-1-en-3-ol is sourced from PubChem (CID 123487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).