(3-chlorocyclohexyl)cycloheptane

C13H23Cl — CID 82925517

IUPAC(3-chlorocyclohexyl)cycloheptane
SMILESClC1CCCC(C2CCCCCC2)C1
InChIInChI=1S/C13H23Cl/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10H2
InChIKeyKVOBDCQFKBUWQW-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.75
Rot. Bonds1

About (3-chlorocyclohexyl)cycloheptane

(3-chlorocyclohexyl)cycloheptane (PubChem CID 82925517) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is (3-chlorocyclohexyl)cycloheptane.

Molecular Properties

Compound Name(3-chlorocyclohexyl)cycloheptane
PubChem CID82925517
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name(3-chlorocyclohexyl)cycloheptane
SMILESClC1CCCC(C2CCCCCC2)C1
InChIInChI=1S/C13H23Cl/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10H2
InChIKeyKVOBDCQFKBUWQW-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorocyclohexyl)piperidine
CID 118408989
1-chloro-3-(3-methylcyclohexyl)cyclohexane
CID 64514707
trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
3-(3-chlorocycloheptyl)oxane
CID 107137865
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
bicyclo[21.1.0]tetracosane
CID 123789596
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
tricyclo[11.9.0.05,8]docosane
CID 123241919
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of (3-chlorocyclohexyl)cycloheptane?
The IUPAC name of (3-chlorocyclohexyl)cycloheptane (CID 82925517) is (3-chlorocyclohexyl)cycloheptane.
What is the SMILES notation for (3-chlorocyclohexyl)cycloheptane?
The canonical SMILES for (3-chlorocyclohexyl)cycloheptane is ClC1CCCC(C2CCCCCC2)C1.
What is the InChIKey of (3-chlorocyclohexyl)cycloheptane?
The InChIKey is KVOBDCQFKBUWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c14-13-9-5-8-12(10-13)11-6-3-1-2-4-7-11/h11-13H,1-10H2.
What are the key properties of (3-chlorocyclohexyl)cycloheptane?
(3-chlorocyclohexyl)cycloheptane has a molecular weight of 214.78 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorocyclohexyl)cycloheptane is sourced from PubChem (CID 82925517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).