2,3-dimethyl-3-propan-2-yldodecane

C17H36 — CID 150435624

IUPAC2,3-dimethyl-3-propan-2-yldodecane
SMILESCCCCCCCCCC(C)(C(C)C)C(C)C
InChIInChI=1S/C17H36/c1-7-8-9-10-11-12-13-14-17(6,15(2)3)16(4)5/h15-16H,7-14H2,1-6H3
InChIKeyHKRPXNZCHDSLJR-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.45
Rot. Bonds10

About 2,3-dimethyl-3-propan-2-yldodecane

2,3-dimethyl-3-propan-2-yldodecane (PubChem CID 150435624) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 2,3-dimethyl-3-propan-2-yldodecane.

Molecular Properties

Compound Name2,3-dimethyl-3-propan-2-yldodecane
PubChem CID150435624
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name2,3-dimethyl-3-propan-2-yldodecane
SMILESCCCCCCCCCC(C)(C(C)C)C(C)C
InChIInChI=1S/C17H36/c1-7-8-9-10-11-12-13-14-17(6,15(2)3)16(4)5/h15-16H,7-14H2,1-6H3
InChIKeyHKRPXNZCHDSLJR-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trimethyloctadecane
CID 90966938
6-methyl-6-propan-2-ylundecane
CID 87930599
10,10-di(propan-2-yl)octacosane
CID 152510996
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
2,3-dimethyltridecan-3-ol
CID 14591139
(3R)-3-methyl-3-propan-2-ylheptan-2-ol
CID 126716836
ethane;2,3,3-trimethyloctane
CID 142049944
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
3,3-difluoro-2-methylheptadecane
CID 22951834
3,3-diethyl-2-methyldodecane
CID 151072312
3,3-difluoro-2-methylnonane
CID 121443889

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-propan-2-yldodecane?
The IUPAC name of 2,3-dimethyl-3-propan-2-yldodecane (CID 150435624) is 2,3-dimethyl-3-propan-2-yldodecane.
What is the SMILES notation for 2,3-dimethyl-3-propan-2-yldodecane?
The canonical SMILES for 2,3-dimethyl-3-propan-2-yldodecane is CCCCCCCCCC(C)(C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethyl-3-propan-2-yldodecane?
The InChIKey is HKRPXNZCHDSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-7-8-9-10-11-12-13-14-17(6,15(2)3)16(4)5/h15-16H,7-14H2,1-6H3.
What are the key properties of 2,3-dimethyl-3-propan-2-yldodecane?
2,3-dimethyl-3-propan-2-yldodecane has a molecular weight of 240.47 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-propan-2-yldodecane is sourced from PubChem (CID 150435624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).