2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane

C17H31Cl — CID 107010551

IUPAC2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane
SMILESC=CCCCCCC(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C17H31Cl/c1-5-6-7-8-9-12-17(3,4)15-11-10-14(2)13-16(15)18/h5,14-16H,1,6-13H2,2-4H3
InChIKeyUJAXUWUBRKNSIN-UHFFFAOYSA-N
MW270.89 g/mol
LogP6.19
Rot. Bonds7

About 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane

2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane (PubChem CID 107010551) has the molecular formula C17H31Cl and a molecular weight of 270.89 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane.

Molecular Properties

Compound Name2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane
PubChem CID107010551
Molecular FormulaC17H31Cl
Molecular Weight270.89 g/mol
Exact Mass270.21
IUPAC Name2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane
SMILESC=CCCCCCC(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C17H31Cl/c1-5-6-7-8-9-12-17(3,4)15-11-10-14(2)13-16(15)18/h5,14-16H,1,6-13H2,2-4H3
InChIKeyUJAXUWUBRKNSIN-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.89
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-2-(2-methylhept-6-en-2-yl)cyclohexan-1-amine
CID 64764257
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
1-(3-methylcyclopentyl)oct-7-en-1-ol
CID 107008594
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
1,1-dichloroundec-10-enylsilane
CID 173198641
4,4-dimethylhenicosa-1,20-diene
CID 173392641
1-decyl-2-hexylcyclopropane;dodec-1-ene;hexadecane
CID 91501691
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane?
The IUPAC name of 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane (CID 107010551) is 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane.
What is the SMILES notation for 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane?
The canonical SMILES for 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane is C=CCCCCCC(C)(C)C1CCC(C)CC1Cl.
What is the InChIKey of 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane?
The InChIKey is UJAXUWUBRKNSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31Cl/c1-5-6-7-8-9-12-17(3,4)15-11-10-14(2)13-16(15)18/h5,14-16H,1,6-13H2,2-4H3.
What are the key properties of 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane?
2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane has a molecular weight of 270.89 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-(2-methylnon-8-en-2-yl)cyclohexane is sourced from PubChem (CID 107010551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).