(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol

C8H16O3 — CID 11094927

IUPAC(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC(OC)OC
InChIInChI=1S/C8H16O3/c1-5-8(2,9)6-7(10-3)11-4/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyGAHSWHYIIGOSBD-MRVPVSSYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds5

About (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol

(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol (PubChem CID 11094927) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol
PubChem CID11094927
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC(OC)OC
InChIInChI=1S/C8H16O3/c1-5-8(2,9)6-7(10-3)11-4/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1
InChIKeyGAHSWHYIIGOSBD-MRVPVSSYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol 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

4-(2,2-Dimethoxyethyl)hepta-1,6-dien-4-ol
CID 86614113
5-Ethoxy-3-methylpent-1-en-3-ol
CID 149159703
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
1,1-Dimethoxy-3-methylhex-5-en-3-ol
CID 14692319
5,5-Dimethoxy-3-methylpent-1-en-3-ol
CID 65985208
5,5-Dimethoxy-2,3-dimethylpent-1-en-3-ol
CID 79190143
1,1-Dimethoxy-3,5-dimethylhex-4-en-3-ol
CID 79190245
3-Ethenyl-3-(1-ethoxyethoxy)pent-4-en-1-ol
CID 121219272

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol?
The IUPAC name of (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol (CID 11094927) is (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol.
What is the SMILES notation for (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol?
The canonical SMILES for (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol is C=C[C@@](C)(O)CC(OC)OC.
What is the InChIKey of (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol?
The InChIKey is GAHSWHYIIGOSBD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-8(2,9)6-7(10-3)11-4/h5,7,9H,1,6H2,2-4H3/t8-/m1/s1.
What are the key properties of (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol?
(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol is sourced from PubChem (CID 11094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).