(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol

C8H16O2 — CID 54077143

IUPAC(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol
SMILESC/C=C/[C@@H](O)[C@@H](C)COC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m0/s1
InChIKeyMKMRQSOPKVBOEE-ODAVYXMRSA-N
MW144.21 g/mol
LogP1.21
Rot. Bonds4

About (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol

(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol (PubChem CID 54077143) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol.

Molecular Properties

Compound Name(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol
PubChem CID54077143
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol
SMILESC/C=C/[C@@H](O)[C@@H](C)COC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m0/s1
InChIKeyMKMRQSOPKVBOEE-ODAVYXMRSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S,3R)-1-methoxy-2-methylhex-4-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

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol?
The IUPAC name of (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol (CID 54077143) is (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol.
What is the SMILES notation for (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol?
The canonical SMILES for (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol is C/C=C/[C@@H](O)[C@@H](C)COC.
What is the InChIKey of (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol?
The InChIKey is MKMRQSOPKVBOEE-ODAVYXMRSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4-5,7-9H,6H2,1-3H3/b5-4+/t7-,8+/m0/s1.
What are the key properties of (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol?
(E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-1-methoxy-2-methylhex-4-en-3-ol is sourced from PubChem (CID 54077143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).