1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one

C18H32O — CID 59143680

IUPAC1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
SMILESCC(C)CC(=O)C(CCC1CCCC1)CC1CC1C
InChIInChI=1S/C18H32O/c1-13(2)10-18(19)16(12-17-11-14(17)3)9-8-15-6-4-5-7-15/h13-17H,4-12H2,1-3H3
InChIKeyULLMQRWLJRFOIF-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.23
Rot. Bonds8

About 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one

1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one (PubChem CID 59143680) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
PubChem CID59143680
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
SMILESCC(C)CC(=O)C(CCC1CCCC1)CC1CC1C
InChIInChI=1S/C18H32O/c1-13(2)10-18(19)16(12-17-11-14(17)3)9-8-15-6-4-5-7-15/h13-17H,4-12H2,1-3H3
InChIKeyULLMQRWLJRFOIF-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143511
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
2-(cyclobutylmethyl)-4-cyclopropyl-N-propan-2-ylbutanamide;4-cyclopropyl-2-(cyclopropylmethyl)-N-propan-2-ylbutanamide;2-(2-cyclopropylethyl)-3,3-dimethyl-N-propan-2-ylbutanamide;2-(2-cyclopropylethyl)-4,4-dimethyl-N-propan-2-ylpentanamide;2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide;4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 159272371
2-(2-methylcyclopropyl)ethylcyclohexane
CID 91503845
2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylpentanamide
CID 21366377
3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
CID 59143648
1-[5-(3-methylbutyl)cyclononyl]prop-2-en-1-one
CID 91599650
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The IUPAC name of 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one (CID 59143680) is 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one.
What is the SMILES notation for 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The canonical SMILES for 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one is CC(C)CC(=O)C(CCC1CCCC1)CC1CC1C.
What is the InChIKey of 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The InChIKey is ULLMQRWLJRFOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-13(2)10-18(19)16(12-17-11-14(17)3)9-8-15-6-4-5-7-15/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one has a molecular weight of 264.45 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one is sourced from PubChem (CID 59143680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).