1-cyclopropyl-1-methoxyhex-5-en-2-one

C10H16O2 — CID 116708905

IUPAC1-cyclopropyl-1-methoxyhex-5-en-2-one
SMILESC=CCCC(=O)C(OC)C1CC1
InChIInChI=1S/C10H16O2/c1-3-4-5-9(11)10(12-2)8-6-7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyLPBXHJUVDKYZDK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds6

About 1-cyclopropyl-1-methoxyhex-5-en-2-one

1-cyclopropyl-1-methoxyhex-5-en-2-one (PubChem CID 116708905) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxyhex-5-en-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxyhex-5-en-2-one
PubChem CID116708905
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclopropyl-1-methoxyhex-5-en-2-one
SMILESC=CCCC(=O)C(OC)C1CC1
InChIInChI=1S/C10H16O2/c1-3-4-5-9(11)10(12-2)8-6-7-8/h3,8,10H,1,4-7H2,2H3
InChIKeyLPBXHJUVDKYZDK-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
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

1-Cyclopropyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143530
5-(Cyclopropylmethoxy)-2,2,7-trimethyloct-7-en-4-one
CID 59143536
2,7-Dimethyl-5-propoxyoct-7-en-4-one
CID 59143578
2,7-Dimethyl-5-prop-2-enoxyoct-7-en-4-one
CID 59143594
5-(Cyclopropylmethoxy)-2,7-dimethyloct-7-en-4-one
CID 59143605
5-Ethoxy-2,7-dimethyloct-7-en-4-one
CID 59143670
6-Methoxydeca-1,9-dien-5-one
CID 87059269
1-[(2S,3R)-3-but-3-enyl-3-methyloxiran-2-yl]-2-methylpropan-1-one
CID 10535439
1-(3-But-3-enyl-3-methyloxiran-2-yl)-2-methylpropan-1-one
CID 10821303
1-Cyclohex-3-en-1-yl-1-methoxypentan-2-one
CID 83225644
1-[(3S)-3-but-3-enyl-3-methyloxiran-2-yl]-2-methylpropan-1-one
CID 101708271
1-[(3R)-3-but-3-enyl-3-methyloxiran-2-yl]-2-methylpropan-1-one
CID 101708272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxyhex-5-en-2-one?
The IUPAC name of 1-cyclopropyl-1-methoxyhex-5-en-2-one (CID 116708905) is 1-cyclopropyl-1-methoxyhex-5-en-2-one.
What is the SMILES notation for 1-cyclopropyl-1-methoxyhex-5-en-2-one?
The canonical SMILES for 1-cyclopropyl-1-methoxyhex-5-en-2-one is C=CCCC(=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxyhex-5-en-2-one?
The InChIKey is LPBXHJUVDKYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-5-9(11)10(12-2)8-6-7-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 1-cyclopropyl-1-methoxyhex-5-en-2-one?
1-cyclopropyl-1-methoxyhex-5-en-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxyhex-5-en-2-one is sourced from PubChem (CID 116708905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).