(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane

C12H22O — CID 90362246

IUPAC(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane
SMILESCC/C=C\CC[C@@H]1O[C@H](C)C[C@@H]1C
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12-10(2)9-11(3)13-12/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-/t10-,11+,12-/m0/s1
InChIKeyGYZLZPJNFNGEJW-AKVLOFAVSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds4

About (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane

(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane (PubChem CID 90362246) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane.

Molecular Properties

Compound Name(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane
PubChem CID90362246
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane
SMILESCC/C=C\CC[C@@H]1O[C@H](C)C[C@@H]1C
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-12-10(2)9-11(3)13-12/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-/t10-,11+,12-/m0/s1
InChIKeyGYZLZPJNFNGEJW-AKVLOFAVSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane 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

1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
1,5-Cyclododecadiene, 9-methoxy-1,5,10-trimethyl-
CID 102054964
CID 85778
CID 85778
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 2,6,10-trimethyl-
CID 6436440
Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan
CID 3024244
2-[2-(4-Methylcyclohex-3-EN-1-YL)propyl]tetrahydrofuran
CID 3024253
(4Z,8Z)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 20838674
(4Z)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 5937114
8-Methyl-1-oxaspiro[4.5]dec-7-ene
CID 21724763
(4Z)-4-methyl-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 117902109
4-Methyl-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 117902110

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane?
The IUPAC name of (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane (CID 90362246) is (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane.
What is the SMILES notation for (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane?
The canonical SMILES for (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane is CC/C=C\CC[C@@H]1O[C@H](C)C[C@@H]1C.
What is the InChIKey of (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane?
The InChIKey is GYZLZPJNFNGEJW-AKVLOFAVSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-12-10(2)9-11(3)13-12/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-/t10-,11+,12-/m0/s1.
What are the key properties of (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane?
(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane is sourced from PubChem (CID 90362246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).