6-butan-2-yl-2,3,4,5,7-pentamethyldecane

C19H40 — CID 123624469

IUPAC6-butan-2-yl-2,3,4,5,7-pentamethyldecane
SMILESCCCC(C)C(C(C)CC)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C19H40/c1-10-12-15(6)19(14(5)11-2)18(9)17(8)16(7)13(3)4/h13-19H,10-12H2,1-9H3
InChIKeyCOJOOYOUYVGIHF-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.65
Rot. Bonds9

About 6-butan-2-yl-2,3,4,5,7-pentamethyldecane

6-butan-2-yl-2,3,4,5,7-pentamethyldecane (PubChem CID 123624469) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 6-butan-2-yl-2,3,4,5,7-pentamethyldecane.

Molecular Properties

Compound Name6-butan-2-yl-2,3,4,5,7-pentamethyldecane
PubChem CID123624469
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name6-butan-2-yl-2,3,4,5,7-pentamethyldecane
SMILESCCCC(C)C(C(C)CC)C(C)C(C)C(C)C(C)C
InChIInChI=1S/C19H40/c1-10-12-15(6)19(14(5)11-2)18(9)17(8)16(7)13(3)4/h13-19H,10-12H2,1-9H3
InChIKeyCOJOOYOUYVGIHF-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-butan-2-yl-2,3,4,5,7-pentamethyldecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
2,4-dimethyl-3-propan-2-ylheptane
CID 53423714
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
5-ethyl-2,3,4,6-tetramethylnonane
CID 90811278
(3R)-3,4-dimethylheptane
CID 59819300
5-hexan-3-yl-2,3,4,6,8-pentamethylnonane
CID 123283653
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
(4S)-2,3,4-trimethylhexane
CID 58359072
3,5-dimethyl-4-propan-2-ylundecane
CID 123891253
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2,3,4,5,7-pentamethyldecane?
The IUPAC name of 6-butan-2-yl-2,3,4,5,7-pentamethyldecane (CID 123624469) is 6-butan-2-yl-2,3,4,5,7-pentamethyldecane.
What is the SMILES notation for 6-butan-2-yl-2,3,4,5,7-pentamethyldecane?
The canonical SMILES for 6-butan-2-yl-2,3,4,5,7-pentamethyldecane is CCCC(C)C(C(C)CC)C(C)C(C)C(C)C(C)C.
What is the InChIKey of 6-butan-2-yl-2,3,4,5,7-pentamethyldecane?
The InChIKey is COJOOYOUYVGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-10-12-15(6)19(14(5)11-2)18(9)17(8)16(7)13(3)4/h13-19H,10-12H2,1-9H3.
What are the key properties of 6-butan-2-yl-2,3,4,5,7-pentamethyldecane?
6-butan-2-yl-2,3,4,5,7-pentamethyldecane has a molecular weight of 268.53 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2,3,4,5,7-pentamethyldecane is sourced from PubChem (CID 123624469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).