(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane

C13H24O — CID 90362251

IUPAC(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane
SMILESCC/C=C\CCC[C@@H]1O[C@@H](C)C[C@@H]1C
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-13-11(2)10-12(3)14-13/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-/t11-,12-,13-/m0/s1
InChIKeyPKOHKCWKPAWHDJ-GSNWTGLJSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds5

About (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane

(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane (PubChem CID 90362251) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane.

Molecular Properties

Compound Name(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane
PubChem CID90362251
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane
SMILESCC/C=C\CCC[C@@H]1O[C@@H](C)C[C@@H]1C
InChIInChI=1S/C13H24O/c1-4-5-6-7-8-9-13-11(2)10-12(3)14-13/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-/t11-,12-,13-/m0/s1
InChIKeyPKOHKCWKPAWHDJ-GSNWTGLJSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane?
The IUPAC name of (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane (CID 90362251) is (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane.
What is the SMILES notation for (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane?
The canonical SMILES for (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane is CC/C=C\CCC[C@@H]1O[C@@H](C)C[C@@H]1C.
What is the InChIKey of (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane?
The InChIKey is PKOHKCWKPAWHDJ-GSNWTGLJSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-6-7-8-9-13-11(2)10-12(3)14-13/h5-6,11-13H,4,7-10H2,1-3H3/b6-5-/t11-,12-,13-/m0/s1.
What are the key properties of (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane?
(2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-[(Z)-hept-4-enyl]-3,5-dimethyloxolane is sourced from PubChem (CID 90362251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).