1-chloro-4-methylcyclooctane

C9H17Cl — CID 123842741

IUPAC1-chloro-4-methylcyclooctane
SMILESCC1CCCCC(Cl)CC1
InChIInChI=1S/C9H17Cl/c1-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyODKFIGYNGDZUNK-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.58
Rot. Bonds

About 1-chloro-4-methylcyclooctane

1-chloro-4-methylcyclooctane (PubChem CID 123842741) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-chloro-4-methylcyclooctane.

Molecular Properties

Compound Name1-chloro-4-methylcyclooctane
PubChem CID123842741
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-chloro-4-methylcyclooctane
SMILESCC1CCCCC(Cl)CC1
InChIInChI=1S/C9H17Cl/c1-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyODKFIGYNGDZUNK-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.58
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

methylcyclopentane
CID 7296
erbium;tris(methylcyclopentane)
CID 91996115
cyclohexane;methylcyclopentane
CID 20788572
CID 158187464
CID 158187464
1,6-dimethylcycloundecane
CID 91298161
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
butane;methylcyclopentane
CID 142053859
1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
CID 161210516
dichlorotitanium;bis(methylcyclopentane)
CID 133112774
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylcyclooctane?
The IUPAC name of 1-chloro-4-methylcyclooctane (CID 123842741) is 1-chloro-4-methylcyclooctane.
What is the SMILES notation for 1-chloro-4-methylcyclooctane?
The canonical SMILES for 1-chloro-4-methylcyclooctane is CC1CCCCC(Cl)CC1.
What is the InChIKey of 1-chloro-4-methylcyclooctane?
The InChIKey is ODKFIGYNGDZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-chloro-4-methylcyclooctane?
1-chloro-4-methylcyclooctane has a molecular weight of 160.69 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylcyclooctane is sourced from PubChem (CID 123842741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).