1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one

C15H26O2 — CID 59143577

IUPAC1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
SMILESC=CCOC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyOLNNFMWYNXHWDU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds8

About 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one

1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one (PubChem CID 59143577) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
PubChem CID59143577
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
SMILESC=CCOC(CC1CCCC1)C(=O)CC(C)C
InChIInChI=1S/C15H26O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyOLNNFMWYNXHWDU-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

3-cyclobutyl-N-propan-2-yl-2-prop-2-enoxypropanamide
CID 21366276
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
CID 59143648
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
cyclopentyl(prop-2-enoxy)methanol
CID 163201000
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
2-(cyclohexylmethylamino)-N-prop-2-enylpropanamide
CID 43216208
3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide
CID 21366338
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one?
The IUPAC name of 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one (CID 59143577) is 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one?
The canonical SMILES for 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one is C=CCOC(CC1CCCC1)C(=O)CC(C)C.
What is the InChIKey of 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one?
The InChIKey is OLNNFMWYNXHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-9-17-15(14(16)10-12(2)3)11-13-7-5-6-8-13/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one?
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one is sourced from PubChem (CID 59143577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).