(2-chloro-2-methylnonadecan-3-yl)cyclohexane

C26H51Cl — CID 70371697

IUPAC(2-chloro-2-methylnonadecan-3-yl)cyclohexane
SMILESCCCCCCCCCCCCCCCCC(C1CCCCC1)C(C)(C)Cl
InChIInChI=1S/C26H51Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2,3)27)24-21-18-17-19-22-24/h24-25H,4-23H2,1-3H3
InChIKeyPMQLTMXXJILDQY-UHFFFAOYSA-N
MW399.15 g/mol
LogP10.07
Rot. Bonds17

About (2-chloro-2-methylnonadecan-3-yl)cyclohexane

(2-chloro-2-methylnonadecan-3-yl)cyclohexane (PubChem CID 70371697) has the molecular formula C26H51Cl and a molecular weight of 399.15 g/mol. Its IUPAC name is (2-chloro-2-methylnonadecan-3-yl)cyclohexane.

Molecular Properties

Compound Name(2-chloro-2-methylnonadecan-3-yl)cyclohexane
PubChem CID70371697
Molecular FormulaC26H51Cl
Molecular Weight399.15 g/mol
Exact Mass398.37
IUPAC Name(2-chloro-2-methylnonadecan-3-yl)cyclohexane
SMILESCCCCCCCCCCCCCCCCC(C1CCCCC1)C(C)(C)Cl
InChIInChI=1S/C26H51Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2,3)27)24-21-18-17-19-22-24/h24-25H,4-23H2,1-3H3
InChIKeyPMQLTMXXJILDQY-UHFFFAOYSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.15
LogP ≤ 510.07
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'}

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Related Compounds

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hexadecan-8-ylcyclohexane
CID 91510029
(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
CID 152602584
undecan-5-ylcyclohexane
CID 524419
1-cyclooctylundecan-1-ol
CID 80603651
[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
CID 95170510
1-cycloheptylheptan-1-amine
CID 65399314
(2-cyclohexyl-1,1-dimethoxydecyl)benzene
CID 150097969
1-chlorododecan-2-ylcyclopentane
CID 112570395
1-cyclohexyldodecane-1,2-diol
CID 103459050

Frequently Asked Questions

What is the IUPAC name of (2-chloro-2-methylnonadecan-3-yl)cyclohexane?
The IUPAC name of (2-chloro-2-methylnonadecan-3-yl)cyclohexane (CID 70371697) is (2-chloro-2-methylnonadecan-3-yl)cyclohexane.
What is the SMILES notation for (2-chloro-2-methylnonadecan-3-yl)cyclohexane?
The canonical SMILES for (2-chloro-2-methylnonadecan-3-yl)cyclohexane is CCCCCCCCCCCCCCCCC(C1CCCCC1)C(C)(C)Cl.
What is the InChIKey of (2-chloro-2-methylnonadecan-3-yl)cyclohexane?
The InChIKey is PMQLTMXXJILDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(26(2,3)27)24-21-18-17-19-22-24/h24-25H,4-23H2,1-3H3.
What are the key properties of (2-chloro-2-methylnonadecan-3-yl)cyclohexane?
(2-chloro-2-methylnonadecan-3-yl)cyclohexane has a molecular weight of 399.15 g/mol, XLogP of 10.07, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-2-methylnonadecan-3-yl)cyclohexane is sourced from PubChem (CID 70371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).