1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one

C15H26O2 — CID 11299400

IUPAC1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one
SMILESCC(C)/C=C/C(C)OC(C)(C)CC(=O)C1CC1
InChIInChI=1S/C15H26O2/c1-11(2)6-7-12(3)17-15(4,5)10-14(16)13-8-9-13/h6-7,11-13H,8-10H2,1-5H3/b7-6+
InChIKeyFSPNVUNGJVMBTD-VOTSOKGWSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds7

About 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one

1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one (PubChem CID 11299400) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one
PubChem CID11299400
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one
SMILESCC(C)/C=C/C(C)OC(C)(C)CC(=O)C1CC1
InChIInChI=1S/C15H26O2/c1-11(2)6-7-12(3)17-15(4,5)10-14(16)13-8-9-13/h6-7,11-13H,8-10H2,1-5H3/b7-6+
InChIKeyFSPNVUNGJVMBTD-VOTSOKGWSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
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

5-methyl-5-[(E)-5-methylhex-3-en-2-yl]oxyhexan-3-one
CID 11345163
1-cycloheptyl-3-methoxy-3-methylbutan-1-one
CID 103023457
1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
CID 63914315
3-amino-1-cyclopentyl-3-methylbutan-1-one
CID 82412671
tert-butyl N-[(2S)-5-cyclopropyl-2-methyl-5-oxopentyl]carbamate
CID 169113175
tert-butyl N-tert-butyl-N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 165464888
1-cyclopropyl-3,4,4-trimethylheptan-1-one
CID 177054090
1-(3-hydroxycyclopentyl)-3,3-dimethylbutan-1-one
CID 85212992
1-[(1S,3S)-3-hydroxycyclopentyl]-3,3-dimethylbutan-1-one
CID 15781023
1-cyclopropyl-2-(propan-2-ylamino)ethanone
CID 116554980
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
CID 13192855
1-cyclopropyl-4-hydroxypentan-1-one
CID 15726184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one?
The IUPAC name of 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one (CID 11299400) is 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one?
The canonical SMILES for 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one is CC(C)/C=C/C(C)OC(C)(C)CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one?
The InChIKey is FSPNVUNGJVMBTD-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-7-12(3)17-15(4,5)10-14(16)13-8-9-13/h6-7,11-13H,8-10H2,1-5H3/b7-6+.
What are the key properties of 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one?
1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-3-[(E)-5-methylhex-3-en-2-yl]oxybutan-1-one is sourced from PubChem (CID 11299400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).