1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane

C46H90ClF — CID 164974299

IUPAC1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane
SMILESCC1CC1.CC1CC1(C)F.CC1CC1C.CC1CCC(C)CC1.CC1CCC(Cl)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1
InChIInChI=1S/C8H16.C7H14.C6H11Cl.C6H12.C5H9F.2C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-4-2-3-5-6;1-4-3-5(4,2)6;1-4-3-5(4)2;1-5-3-2-4-5;1-4-2-3-4/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;6H,2-5H2,1H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyDOFIKCNWRNZZGR-UHFFFAOYSA-N
MW697.68 g/mol
LogP16.67
Rot. Bonds

About 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane

1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane (PubChem CID 164974299) has the molecular formula C46H90ClF and a molecular weight of 697.68 g/mol. Its IUPAC name is 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane.

Molecular Properties

Compound Name1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane
PubChem CID164974299
Molecular FormulaC46H90ClF
Molecular Weight697.68 g/mol
Exact Mass696.67
IUPAC Name1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane
SMILESCC1CC1.CC1CC1(C)F.CC1CC1C.CC1CCC(C)CC1.CC1CCC(Cl)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1
InChIInChI=1S/C8H16.C7H14.C6H11Cl.C6H12.C5H9F.2C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-4-2-3-5-6;1-4-3-5(4,2)6;1-4-3-5(4)2;1-5-3-2-4-5;1-4-2-3-4/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;6H,2-5H2,1H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3
InChIKeyDOFIKCNWRNZZGR-UHFFFAOYSA-N
XLogP16.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.68
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane with MolForge

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Related Compounds

cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
1-chloro-4-methylcyclooctane
CID 123842741
1,4-dimethylcycloheptane;1,4-dimethylcyclohexane;methane;methylcyclohexane
CID 161210516
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;dihydrate
CID 144526565
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389
ethane;methylcyclohexane;sulfane
CID 145330244
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane?
The IUPAC name of 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane (CID 164974299) is 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane.
What is the SMILES notation for 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane?
The canonical SMILES for 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane is CC1CC1.CC1CC1(C)F.CC1CC1C.CC1CCC(C)CC1.CC1CCC(Cl)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1.
What is the InChIKey of 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane?
The InChIKey is DOFIKCNWRNZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H14.C6H11Cl.C6H12.C5H9F.2C5H10.C4H8/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-5-2-3-6(7)4-5;1-6-4-2-3-5-6;1-4-3-5(4,2)6;1-4-3-5(4)2;1-5-3-2-4-5;1-4-2-3-4/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3;5-6H,2-4H2,1H3;6H,2-5H2,1H3;4H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;4H,2-3H2,1H3.
What are the key properties of 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane?
1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane has a molecular weight of 697.68 g/mol, XLogP of 16.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylcyclopentane;1,4-dimethylcyclohexane;1,2-dimethylcyclopropane;1-fluoro-1,2-dimethylcyclopropane;methylcyclobutane;methylcyclohexane;methylcyclopentane;methylcyclopropane is sourced from PubChem (CID 164974299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).