15-chloro-4,4-dimethylpentadec-1-ene

C17H33Cl — CID 174926161

IUPAC15-chloro-4,4-dimethylpentadec-1-ene
SMILESC=CCC(C)(C)CCCCCCCCCCCCl
InChIInChI=1S/C17H33Cl/c1-4-14-17(2,3)15-12-10-8-6-5-7-9-11-13-16-18/h4H,1,5-16H2,2-3H3
InChIKeyYUKJOEJTBLXVQF-UHFFFAOYSA-N
MW272.90 g/mol
LogP6.73
Rot. Bonds13

About 15-chloro-4,4-dimethylpentadec-1-ene

15-chloro-4,4-dimethylpentadec-1-ene (PubChem CID 174926161) has the molecular formula C17H33Cl and a molecular weight of 272.90 g/mol. Its IUPAC name is 15-chloro-4,4-dimethylpentadec-1-ene.

Molecular Properties

Compound Name15-chloro-4,4-dimethylpentadec-1-ene
PubChem CID174926161
Molecular FormulaC17H33Cl
Molecular Weight272.90 g/mol
Exact Mass272.23
IUPAC Name15-chloro-4,4-dimethylpentadec-1-ene
SMILESC=CCC(C)(C)CCCCCCCCCCCCl
InChIInChI=1S/C17H33Cl/c1-4-14-17(2,3)15-12-10-8-6-5-7-9-11-13-16-18/h4H,1,5-16H2,2-3H3
InChIKeyYUKJOEJTBLXVQF-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.90
LogP ≤ 56.73
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

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azane;4,4-dimethylhenicos-1-ene;hydrochloride
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6,6-dimethylnon-8-en-2-one
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methyl 7-chloro-3,3-dimethylheptanoate
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4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
2,4,4-trimethylhepta-1,6-diene
CID 15205594
4,4,7-trimethylundec-1-ene
CID 143332601
N-(2-iodopropan-2-yl)-3,3-dimethylhex-5-en-1-amine
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3,3-dimethyldec-9-en-1-amine
CID 107010664
N-(12-chloro-2-methyldodecan-2-yl)formamide
CID 71601715
1,1,1,12-tetrachlorododecane
CID 169446882

Frequently Asked Questions

What is the IUPAC name of 15-chloro-4,4-dimethylpentadec-1-ene?
The IUPAC name of 15-chloro-4,4-dimethylpentadec-1-ene (CID 174926161) is 15-chloro-4,4-dimethylpentadec-1-ene.
What is the SMILES notation for 15-chloro-4,4-dimethylpentadec-1-ene?
The canonical SMILES for 15-chloro-4,4-dimethylpentadec-1-ene is C=CCC(C)(C)CCCCCCCCCCCCl.
What is the InChIKey of 15-chloro-4,4-dimethylpentadec-1-ene?
The InChIKey is YUKJOEJTBLXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33Cl/c1-4-14-17(2,3)15-12-10-8-6-5-7-9-11-13-16-18/h4H,1,5-16H2,2-3H3.
What are the key properties of 15-chloro-4,4-dimethylpentadec-1-ene?
15-chloro-4,4-dimethylpentadec-1-ene has a molecular weight of 272.90 g/mol, XLogP of 6.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-4,4-dimethylpentadec-1-ene is sourced from PubChem (CID 174926161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).