3,3-diethyl-2-methyldodecane

C17H36 — CID 151072312

IUPAC3,3-diethyl-2-methyldodecane
SMILESCCCCCCCCCC(CC)(CC)C(C)C
InChIInChI=1S/C17H36/c1-6-9-10-11-12-13-14-15-17(7-2,8-3)16(4)5/h16H,6-15H2,1-5H3
InChIKeyMIJUSQZUAVLQAM-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds11

About 3,3-diethyl-2-methyldodecane

3,3-diethyl-2-methyldodecane (PubChem CID 151072312) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 3,3-diethyl-2-methyldodecane.

Molecular Properties

Compound Name3,3-diethyl-2-methyldodecane
PubChem CID151072312
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name3,3-diethyl-2-methyldodecane
SMILESCCCCCCCCCC(CC)(CC)C(C)C
InChIInChI=1S/C17H36/c1-6-9-10-11-12-13-14-15-17(7-2,8-3)16(4)5/h16H,6-15H2,1-5H3
InChIKeyMIJUSQZUAVLQAM-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
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

5-ethyl-5-propan-2-yltetradecane
CID 123207557
2-heptyl-2-propan-2-ylpropane-1,3-diol
CID 79450915
2-hexyl-2-propan-2-ylpropane-1,3-diol
CID 79450743
2-decyl-2-propan-2-ylpropane-1,3-diol
CID 79450466
2,2-diethyloctane-1,1-diol
CID 18324063
2,3,3-trimethyloctadecane
CID 90966938
10,10-di(propan-2-yl)octacosane
CID 152510996
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
2-(methoxymethyl)-2-propan-2-yldecan-1-amine
CID 139968822
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
ethane;2,3,3-trimethyloctane
CID 142049944

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-2-methyldodecane?
The IUPAC name of 3,3-diethyl-2-methyldodecane (CID 151072312) is 3,3-diethyl-2-methyldodecane.
What is the SMILES notation for 3,3-diethyl-2-methyldodecane?
The canonical SMILES for 3,3-diethyl-2-methyldodecane is CCCCCCCCCC(CC)(CC)C(C)C.
What is the InChIKey of 3,3-diethyl-2-methyldodecane?
The InChIKey is MIJUSQZUAVLQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36/c1-6-9-10-11-12-13-14-15-17(7-2,8-3)16(4)5/h16H,6-15H2,1-5H3.
What are the key properties of 3,3-diethyl-2-methyldodecane?
3,3-diethyl-2-methyldodecane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-2-methyldodecane is sourced from PubChem (CID 151072312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).