2-chloro-2-methylheptadecane

C18H37Cl — CID 19869804

IUPAC2-chloro-2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)(C)Cl
InChIInChI=1S/C18H37Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3
InChIKeyWZJFJFANQFKNSY-UHFFFAOYSA-N
MW288.95 g/mol
LogP7.49
Rot. Bonds14

About 2-chloro-2-methylheptadecane

2-chloro-2-methylheptadecane (PubChem CID 19869804) has the molecular formula C18H37Cl and a molecular weight of 288.95 g/mol. Its IUPAC name is 2-chloro-2-methylheptadecane.

Molecular Properties

Compound Name2-chloro-2-methylheptadecane
PubChem CID19869804
Molecular FormulaC18H37Cl
Molecular Weight288.95 g/mol
Exact Mass288.26
IUPAC Name2-chloro-2-methylheptadecane
SMILESCCCCCCCCCCCCCCCC(C)(C)Cl
InChIInChI=1S/C18H37Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3
InChIKeyWZJFJFANQFKNSY-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.95
LogP ≤ 57.49
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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CID 87093642
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2-chloro-2-methylhexane;cyclobutane
CID 175373010
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
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CID 154304707
3-chloro-3-methyloctadecane
CID 158282272
2,6-dichloro-2,6-dimethyldecane
CID 139809322
5,5-dichlorododecane
CID 90767172
azane;12-chloro-12-undecyltetracosane
CID 88840214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylheptadecane?
The IUPAC name of 2-chloro-2-methylheptadecane (CID 19869804) is 2-chloro-2-methylheptadecane.
What is the SMILES notation for 2-chloro-2-methylheptadecane?
The canonical SMILES for 2-chloro-2-methylheptadecane is CCCCCCCCCCCCCCCC(C)(C)Cl.
What is the InChIKey of 2-chloro-2-methylheptadecane?
The InChIKey is WZJFJFANQFKNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h4-17H2,1-3H3.
What are the key properties of 2-chloro-2-methylheptadecane?
2-chloro-2-methylheptadecane has a molecular weight of 288.95 g/mol, XLogP of 7.49, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylheptadecane is sourced from PubChem (CID 19869804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).