2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane

C21H44 — CID 59297460

IUPAC2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
SMILESCCCC(C)(C)C(C)(CCCC(C)C)C(C)(CC)CCC
InChIInChI=1S/C21H44/c1-10-15-19(6,7)21(9,17-13-14-18(4)5)20(8,12-3)16-11-2/h18H,10-17H2,1-9H3
InChIKeyPVGQHDRMTQTTBR-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.86
Rot. Bonds11

About 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane

2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane (PubChem CID 59297460) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane.

Molecular Properties

Compound Name2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
PubChem CID59297460
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane
SMILESCCCC(C)(C)C(C)(CCCC(C)C)C(C)(CC)CCC
InChIInChI=1S/C21H44/c1-10-15-19(6,7)21(9,17-13-14-18(4)5)20(8,12-3)16-11-2/h18H,10-17H2,1-9H3
InChIKeyPVGQHDRMTQTTBR-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-4,5-dimethyl-5-(2-methylpentan-2-yl)decane
CID 59297459
bis(4-ethyl-4,5,6,7,7-pentamethyl-5,6-dipropyldecane);bis(tritium monohydride)
CID 159832356
3-ethyl-2,2,3,7,11-pentamethyldodecane
CID 166045645
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
6-ethyl-2,6,7-trimethyldecane
CID 123269799
6,6-dibutyl-2-methyldecane
CID 150480915
3,3-dimethylpentane;2-methylhexane
CID 158289309
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
2-ethyl-2,6-dimethylheptanal
CID 57421645
6-fluoro-2,6-dimethylundecane
CID 155274662
10-methyl-4-propylundecan-4-ol
CID 156689332
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619

Frequently Asked Questions

What is the IUPAC name of 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane?
The IUPAC name of 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane (CID 59297460) is 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane.
What is the SMILES notation for 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane?
The canonical SMILES for 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane is CCCC(C)(C)C(C)(CCCC(C)C)C(C)(CC)CCC.
What is the InChIKey of 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane?
The InChIKey is PVGQHDRMTQTTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-10-15-19(6,7)21(9,17-13-14-18(4)5)20(8,12-3)16-11-2/h18H,10-17H2,1-9H3.
What are the key properties of 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane?
2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane has a molecular weight of 296.58 g/mol, XLogP of 7.86, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7-tetramethyl-6-(3-methylhexan-3-yl)decane is sourced from PubChem (CID 59297460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).