(3S)-2-methoxy-3-methylpent-1-ene

C7H14O — CID 89093066

IUPAC(3S)-2-methoxy-3-methylpent-1-ene
SMILESC=C(OC)[C@@H](C)CC
InChIInChI=1S/C7H14O/c1-5-6(2)7(3)8-4/h6H,3,5H2,1-2,4H3/t6-/m0/s1
InChIKeyQUHFVAMHKJSXQF-LURJTMIESA-N
MW114.19 g/mol
LogP2.19
Rot. Bonds3

About (3S)-2-methoxy-3-methylpent-1-ene

(3S)-2-methoxy-3-methylpent-1-ene (PubChem CID 89093066) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is (3S)-2-methoxy-3-methylpent-1-ene.

Molecular Properties

Compound Name(3S)-2-methoxy-3-methylpent-1-ene
PubChem CID89093066
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name(3S)-2-methoxy-3-methylpent-1-ene
SMILESC=C(OC)[C@@H](C)CC
InChIInChI=1S/C7H14O/c1-5-6(2)7(3)8-4/h6H,3,5H2,1-2,4H3/t6-/m0/s1
InChIKeyQUHFVAMHKJSXQF-LURJTMIESA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-2-methoxy-3-methylpent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methoxy-3-methylpent-1-ene?
The IUPAC name of (3S)-2-methoxy-3-methylpent-1-ene (CID 89093066) is (3S)-2-methoxy-3-methylpent-1-ene.
What is the SMILES notation for (3S)-2-methoxy-3-methylpent-1-ene?
The canonical SMILES for (3S)-2-methoxy-3-methylpent-1-ene is C=C(OC)[C@@H](C)CC.
What is the InChIKey of (3S)-2-methoxy-3-methylpent-1-ene?
The InChIKey is QUHFVAMHKJSXQF-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O/c1-5-6(2)7(3)8-4/h6H,3,5H2,1-2,4H3/t6-/m0/s1.
What are the key properties of (3S)-2-methoxy-3-methylpent-1-ene?
(3S)-2-methoxy-3-methylpent-1-ene has a molecular weight of 114.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methoxy-3-methylpent-1-ene is sourced from PubChem (CID 89093066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).