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

C14H26O — CID 134987764

IUPAC(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
SMILESCCCCC[C@@H](C)[C@H]1CCCCCC1=O
InChIInChI=1S/C14H26O/c1-3-4-6-9-12(2)13-10-7-5-8-11-14(13)15/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyNOXPZMGQGOHPPU-CHWSQXEVSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds5

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

(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one (PubChem CID 134987764) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
PubChem CID134987764
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one
SMILESCCCCC[C@@H](C)[C@H]1CCCCCC1=O
InChIInChI=1S/C14H26O/c1-3-4-6-9-12(2)13-10-7-5-8-11-14(13)15/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyNOXPZMGQGOHPPU-CHWSQXEVSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
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]cyclohexan-1-one
CID 134922520
2-(4-hydroxybutan-2-yl)cycloheptan-1-one
CID 130126460
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
2-(1-hydroxybutyl)cycloheptan-1-one
CID 22618934
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
(2S)-2-[(2S)-1-nitrononan-2-yl]cyclohexan-1-one
CID 135009691
2-nonylcyclododecan-1-one
CID 14296722
(2R)-2-pentylcyclohexan-1-one
CID 86310435
(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
CID 10780179
(2S)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
CID 10589923

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one?
The IUPAC name of (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one (CID 134987764) is (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one.
What is the SMILES notation for (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one?
The canonical SMILES for (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one is CCCCC[C@@H](C)[C@H]1CCCCCC1=O.
What is the InChIKey of (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one?
The InChIKey is NOXPZMGQGOHPPU-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-6-9-12(2)13-10-7-5-8-11-14(13)15/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one?
(2R)-2-[(2R)-heptan-2-yl]cycloheptan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 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]cycloheptan-1-one is sourced from PubChem (CID 134987764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).