3,7,7-trimethyl-6-(2-methylbutyl)decane

C18H38 — CID 90869140

IUPAC3,7,7-trimethyl-6-(2-methylbutyl)decane
SMILESCCCC(C)(C)C(CCC(C)CC)CC(C)CC
InChIInChI=1S/C18H38/c1-8-13-18(6,7)17(14-16(5)10-3)12-11-15(4)9-2/h15-17H,8-14H2,1-7H3
InChIKeyGEWFETFJNHFVJU-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.69
Rot. Bonds10

About 3,7,7-trimethyl-6-(2-methylbutyl)decane

3,7,7-trimethyl-6-(2-methylbutyl)decane (PubChem CID 90869140) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 3,7,7-trimethyl-6-(2-methylbutyl)decane.

Molecular Properties

Compound Name3,7,7-trimethyl-6-(2-methylbutyl)decane
PubChem CID90869140
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name3,7,7-trimethyl-6-(2-methylbutyl)decane
SMILESCCCC(C)(C)C(CCC(C)CC)CC(C)CC
InChIInChI=1S/C18H38/c1-8-13-18(6,7)17(14-16(5)10-3)12-11-15(4)9-2/h15-17H,8-14H2,1-7H3
InChIKeyGEWFETFJNHFVJU-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
5-tert-butyl-7-ethyl-3-methylundecane
CID 178132881
3,6,7,8-tetramethyl-8-propan-2-ylundecane
CID 91132457
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
(3R,6S)-3,6-dimethyldecane
CID 170848353
calcium;hydride;3-methylheptane
CID 174879723
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethyl-2-propylheptanenitrile
CID 176966575
3,5,8,8-tetramethyldodecane
CID 123736669
3-methylheptane;nickel
CID 158967838
6-butyl-3,7-dimethylundecane
CID 123359248

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-6-(2-methylbutyl)decane?
The IUPAC name of 3,7,7-trimethyl-6-(2-methylbutyl)decane (CID 90869140) is 3,7,7-trimethyl-6-(2-methylbutyl)decane.
What is the SMILES notation for 3,7,7-trimethyl-6-(2-methylbutyl)decane?
The canonical SMILES for 3,7,7-trimethyl-6-(2-methylbutyl)decane is CCCC(C)(C)C(CCC(C)CC)CC(C)CC.
What is the InChIKey of 3,7,7-trimethyl-6-(2-methylbutyl)decane?
The InChIKey is GEWFETFJNHFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-8-13-18(6,7)17(14-16(5)10-3)12-11-15(4)9-2/h15-17H,8-14H2,1-7H3.
What are the key properties of 3,7,7-trimethyl-6-(2-methylbutyl)decane?
3,7,7-trimethyl-6-(2-methylbutyl)decane has a molecular weight of 254.50 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-6-(2-methylbutyl)decane is sourced from PubChem (CID 90869140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).