(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one

C13H24O — CID 134922520

IUPAC(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
SMILESCCCCC[C@@H](C)[C@H]1CCCCC1=O
InChIInChI=1S/C13H24O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyYDUBQRWZIDDMHK-VXGBXAGGSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds5

About (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one

(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one (PubChem CID 134922520) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
PubChem CID134922520
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one
SMILESCCCCC[C@@H](C)[C@H]1CCCCC1=O
InChIInChI=1S/C13H24O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyYDUBQRWZIDDMHK-VXGBXAGGSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
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

(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
CID 134987764
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
(2S)-2-[(2S)-1-nitrononan-2-yl]cyclohexan-1-one
CID 135009691
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-(1-hydroxybutyl)cycloheptan-1-one
CID 22618934
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
2-(2-oxocyclohexyl)pentanal
CID 174565613
2-(1-methoxybutyl)cyclohexan-1-one
CID 12570585
2-nonylcyclododecan-1-one
CID 14296722

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one (CID 134922520) is (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one is CCCCC[C@@H](C)[C@H]1CCCCC1=O.
What is the InChIKey of (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one?
The InChIKey is YDUBQRWZIDDMHK-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one?
(2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-heptan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 134922520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).