(3S)-3-(3-methyldecyl)cyclopentan-1-one

C16H30O — CID 142057625

IUPAC(3S)-3-(3-methyldecyl)cyclopentan-1-one
SMILESCCCCCCCC(C)CC[C@H]1CCC(=O)C1
InChIInChI=1S/C16H30O/c1-3-4-5-6-7-8-14(2)9-10-15-11-12-16(17)13-15/h14-15H,3-13H2,1-2H3/t14?,15-/m0/s1
InChIKeyDQRALAZETCQZLY-LOACHALJSA-N
MW238.41 g/mol
LogP5.13
Rot. Bonds9

About (3S)-3-(3-methyldecyl)cyclopentan-1-one

(3S)-3-(3-methyldecyl)cyclopentan-1-one (PubChem CID 142057625) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (3S)-3-(3-methyldecyl)cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-methyldecyl)cyclopentan-1-one
PubChem CID142057625
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(3S)-3-(3-methyldecyl)cyclopentan-1-one
SMILESCCCCCCCC(C)CC[C@H]1CCC(=O)C1
InChIInChI=1S/C16H30O/c1-3-4-5-6-7-8-14(2)9-10-15-11-12-16(17)13-15/h14-15H,3-13H2,1-2H3/t14?,15-/m0/s1
InChIKeyDQRALAZETCQZLY-LOACHALJSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyldecyl)cyclopentan-1-one;methyl (Z)-hept-5-enoate
CID 142123058
3-pentylcyclopentan-1-one
CID 11040911
3-(3-methylbutyl)cyclopentan-1-one
CID 64521347
(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
4-decylcyclohexan-1-one
CID 13479948
3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]cyclopentan-1-one
CID 144503975
3-(10-methylpentadecyl)oxolane-2,5-dione
CID 90097545
4-[2-(4-heptylcyclohexyl)ethyl]cyclohexan-1-one
CID 15006713
5-tridecylcyclohexane-1,3-dione
CID 71394051
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methyldecyl)cyclopentan-1-one?
The IUPAC name of (3S)-3-(3-methyldecyl)cyclopentan-1-one (CID 142057625) is (3S)-3-(3-methyldecyl)cyclopentan-1-one.
What is the SMILES notation for (3S)-3-(3-methyldecyl)cyclopentan-1-one?
The canonical SMILES for (3S)-3-(3-methyldecyl)cyclopentan-1-one is CCCCCCCC(C)CC[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-(3-methyldecyl)cyclopentan-1-one?
The InChIKey is DQRALAZETCQZLY-LOACHALJSA-N. The full InChI is InChI=1S/C16H30O/c1-3-4-5-6-7-8-14(2)9-10-15-11-12-16(17)13-15/h14-15H,3-13H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of (3S)-3-(3-methyldecyl)cyclopentan-1-one?
(3S)-3-(3-methyldecyl)cyclopentan-1-one has a molecular weight of 238.41 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methyldecyl)cyclopentan-1-one is sourced from PubChem (CID 142057625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).