5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one

C11H18O2 — CID 70117753

IUPAC5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one
SMILESCC/C=C\CCC1CC(C)C(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-
InChIKeyBHQJRPKFGLAHQB-PLNGDYQASA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds4

About 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one

5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one (PubChem CID 70117753) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one
PubChem CID70117753
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one
SMILESCC/C=C\CCC1CC(C)C(=O)O1
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-
InChIKeyBHQJRPKFGLAHQB-PLNGDYQASA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Decen-4-olide, (Z)-
CID 6019677
4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
Chaulmoogric acid ethyl ester
CID 23615635
Cnidilide
CID 160710
Isodecyl Oleate
CID 6436737
2,5-Furandione, dihydro-3-(tetrapropenyl)-
CID 6438029
Butyloctyl Oleate
CID 71587487
Isostearyl Erucate
CID 91668147
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082
Isostearyl Linoleate
CID 16718441

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one?
The IUPAC name of 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one (CID 70117753) is 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one.
What is the SMILES notation for 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one?
The canonical SMILES for 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one is CC/C=C\CCC1CC(C)C(=O)O1.
What is the InChIKey of 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one?
The InChIKey is BHQJRPKFGLAHQB-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-10-8-9(2)11(12)13-10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one?
5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hex-3-enyl]-3-methyloxolan-2-one is sourced from PubChem (CID 70117753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).