3-methyl-1-(1-phenylcyclopentyl)hexan-1-one

C18H26O — CID 63410458

IUPAC3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
SMILESCCCC(C)CC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26O/c1-3-9-15(2)14-17(19)18(12-7-8-13-18)16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3
InChIKeyAKLQWHUGHNDEEM-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.89
Rot. Bonds6

About 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one

3-methyl-1-(1-phenylcyclopentyl)hexan-1-one (PubChem CID 63410458) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
PubChem CID63410458
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name3-methyl-1-(1-phenylcyclopentyl)hexan-1-one
SMILESCCCC(C)CC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26O/c1-3-9-15(2)14-17(19)18(12-7-8-13-18)16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3
InChIKeyAKLQWHUGHNDEEM-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-(1-phenylcyclopentyl)pentan-1-one
CID 55179619
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
2-methoxy-1-(1-phenylcyclohexyl)ethanone
CID 79567283
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
2-(diethylamino)-1-(1-phenylcyclobutyl)ethanone
CID 130330381
4-methyl-1-(1-phenylcyclopentyl)pent-4-en-1-one
CID 114473546
[2-oxo-2-(1-phenylcyclopentyl)ethyl]phosphonic acid
CID 69250269
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
2-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-1-(1-phenylcyclopentyl)ethanone
CID 130330384
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one?
The IUPAC name of 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one (CID 63410458) is 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one.
What is the SMILES notation for 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one?
The canonical SMILES for 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one is CCCC(C)CC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one?
The InChIKey is AKLQWHUGHNDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-9-15(2)14-17(19)18(12-7-8-13-18)16-10-5-4-6-11-16/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3.
What are the key properties of 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one?
3-methyl-1-(1-phenylcyclopentyl)hexan-1-one has a molecular weight of 258.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-phenylcyclopentyl)hexan-1-one is sourced from PubChem (CID 63410458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).