3-(chloromethyl)heptan-3-ylcycloheptane

C15H29Cl — CID 82945588

IUPAC3-(chloromethyl)heptan-3-ylcycloheptane
SMILESCCCCC(CC)(CCl)C1CCCCCC1
InChIInChI=1S/C15H29Cl/c1-3-5-12-15(4-2,13-16)14-10-8-6-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyAPLXIXJZFSRCAO-UHFFFAOYSA-N
MW244.85 g/mol
LogP5.78
Rot. Bonds6

About 3-(chloromethyl)heptan-3-ylcycloheptane

3-(chloromethyl)heptan-3-ylcycloheptane (PubChem CID 82945588) has the molecular formula C15H29Cl and a molecular weight of 244.85 g/mol. Its IUPAC name is 3-(chloromethyl)heptan-3-ylcycloheptane.

Molecular Properties

Compound Name3-(chloromethyl)heptan-3-ylcycloheptane
PubChem CID82945588
Molecular FormulaC15H29Cl
Molecular Weight244.85 g/mol
Exact Mass244.20
IUPAC Name3-(chloromethyl)heptan-3-ylcycloheptane
SMILESCCCCC(CC)(CCl)C1CCCCCC1
InChIInChI=1S/C15H29Cl/c1-3-5-12-15(4-2,13-16)14-10-8-6-7-9-11-14/h14H,3-13H2,1-2H3
InChIKeyAPLXIXJZFSRCAO-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.85
LogP ≤ 55.78
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

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3-[1-chloro-2-(chloromethyl)hexan-2-yl]thiolane 1,1-dioxide
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6-cyclohexylundecan-6-ylcyclohexane
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(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
3-cyclohexylnonan-3-ylphosphane
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(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
CID 123410330
3-butyl-3-cyclohexyl-N,N-bis[3-(dimethylamino)propyl]heptanamide
CID 59931013
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
3-ethylpentan-3-ylcyclopropane
CID 91066295
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane
CID 112571093
2-cyclopentyl-2-dimethylsilylhexanoic acid
CID 151529268

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)heptan-3-ylcycloheptane?
The IUPAC name of 3-(chloromethyl)heptan-3-ylcycloheptane (CID 82945588) is 3-(chloromethyl)heptan-3-ylcycloheptane.
What is the SMILES notation for 3-(chloromethyl)heptan-3-ylcycloheptane?
The canonical SMILES for 3-(chloromethyl)heptan-3-ylcycloheptane is CCCCC(CC)(CCl)C1CCCCCC1.
What is the InChIKey of 3-(chloromethyl)heptan-3-ylcycloheptane?
The InChIKey is APLXIXJZFSRCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29Cl/c1-3-5-12-15(4-2,13-16)14-10-8-6-7-9-11-14/h14H,3-13H2,1-2H3.
What are the key properties of 3-(chloromethyl)heptan-3-ylcycloheptane?
3-(chloromethyl)heptan-3-ylcycloheptane has a molecular weight of 244.85 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)heptan-3-ylcycloheptane is sourced from PubChem (CID 82945588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).