3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane

C19H40 — CID 90852009

IUPAC3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane
SMILESCCCC(C)(C)C(C)(C)C(C(C)C)C(C)C(C)CC
InChIInChI=1S/C19H40/c1-11-13-18(7,8)19(9,10)17(14(3)4)16(6)15(5)12-2/h14-17H,11-13H2,1-10H3
InChIKeyAEMDGDBNTLCROB-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.79
Rot. Bonds8

About 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane

3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane (PubChem CID 90852009) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane.

Molecular Properties

Compound Name3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane
PubChem CID90852009
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane
SMILESCCCC(C)(C)C(C)(C)C(C(C)C)C(C)C(C)CC
InChIInChI=1S/C19H40/c1-11-13-18(7,8)19(9,10)17(14(3)4)16(6)15(5)12-2/h14-17H,11-13H2,1-10H3
InChIKeyAEMDGDBNTLCROB-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,3,4,5-pentamethylheptane
CID 53428630
3,4,6,7,7-pentamethyl-6-propan-2-yldecane
CID 123370123
(4S)-2,3,4-trimethylhexane
CID 58359072
4,5,6,7,8-pentamethyl-5-propyldec-3-ene
CID 123493683
(4S)-4-fluoro-2,4,6-trimethyl-3,5-di(propan-2-yl)octane
CID 163690982
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(3R,4R)-3-methoxy-2,2,4-trimethylhexane
CID 177079402
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
CID 159937980
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
CID 91437014
CID 91437014

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane?
The IUPAC name of 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane (CID 90852009) is 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane.
What is the SMILES notation for 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane?
The canonical SMILES for 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane is CCCC(C)(C)C(C)(C)C(C(C)C)C(C)C(C)CC.
What is the InChIKey of 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane?
The InChIKey is AEMDGDBNTLCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-11-13-18(7,8)19(9,10)17(14(3)4)16(6)15(5)12-2/h14-17H,11-13H2,1-10H3.
What are the key properties of 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane?
3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane has a molecular weight of 268.53 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6,7,7-hexamethyl-5-propan-2-yldecane is sourced from PubChem (CID 90852009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).