3-chloro-3-methylpentadecan-2-ol

C16H33ClO — CID 87770465

IUPAC3-chloro-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCCC(C)(Cl)C(C)O
InChIInChI=1S/C16H33ClO/c1-4-5-6-7-8-9-10-11-12-13-14-16(3,17)15(2)18/h15,18H,4-14H2,1-3H3
InChIKeyBSDHJLMRUDBAIA-UHFFFAOYSA-N
MW276.89 g/mol
LogP5.68
Rot. Bonds12

About 3-chloro-3-methylpentadecan-2-ol

3-chloro-3-methylpentadecan-2-ol (PubChem CID 87770465) has the molecular formula C16H33ClO and a molecular weight of 276.89 g/mol. Its IUPAC name is 3-chloro-3-methylpentadecan-2-ol.

Molecular Properties

Compound Name3-chloro-3-methylpentadecan-2-ol
PubChem CID87770465
Molecular FormulaC16H33ClO
Molecular Weight276.89 g/mol
Exact Mass276.22
IUPAC Name3-chloro-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCCC(C)(Cl)C(C)O
InChIInChI=1S/C16H33ClO/c1-4-5-6-7-8-9-10-11-12-13-14-16(3,17)15(2)18/h15,18H,4-14H2,1-3H3
InChIKeyBSDHJLMRUDBAIA-UHFFFAOYSA-N
XLogP5.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.89
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-chloro-2-methyldecane-1,1-diol
CID 88640854
3,3-dimethylnonan-2-ol
CID 19931299
3,3-dimethyldecan-2-ol
CID 87975868
3,3-dihexylpentane-2,4-diol
CID 21414890
3-decyltridecane-2,3-diol
CID 175905550
3-methyl-3-propyloctan-2-ol
CID 20501793
2,6-dichloro-6-methyldodecane
CID 175075248
2-chloro-2-methylheptadecane
CID 19869804
4,4-dimethyldecan-2-ol
CID 19931322
octane;propan-2-ol
CID 160746796
azane;2-chloro-2-methyltridecane
CID 87093642
2,3-dimethyltridecan-3-ol
CID 14591139

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-methylpentadecan-2-ol?
The IUPAC name of 3-chloro-3-methylpentadecan-2-ol (CID 87770465) is 3-chloro-3-methylpentadecan-2-ol.
What is the SMILES notation for 3-chloro-3-methylpentadecan-2-ol?
The canonical SMILES for 3-chloro-3-methylpentadecan-2-ol is CCCCCCCCCCCCC(C)(Cl)C(C)O.
What is the InChIKey of 3-chloro-3-methylpentadecan-2-ol?
The InChIKey is BSDHJLMRUDBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClO/c1-4-5-6-7-8-9-10-11-12-13-14-16(3,17)15(2)18/h15,18H,4-14H2,1-3H3.
What are the key properties of 3-chloro-3-methylpentadecan-2-ol?
3-chloro-3-methylpentadecan-2-ol has a molecular weight of 276.89 g/mol, XLogP of 5.68, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-methylpentadecan-2-ol is sourced from PubChem (CID 87770465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).