3,4,6,7,7-pentamethyl-6-propan-2-yldecane

C18H38 — CID 123370123

IUPAC3,4,6,7,7-pentamethyl-6-propan-2-yldecane
SMILESCCCC(C)(C)C(C)(CC(C)C(C)CC)C(C)C
InChIInChI=1S/C18H38/c1-10-12-17(7,8)18(9,14(3)4)13-16(6)15(5)11-2/h14-16H,10-13H2,1-9H3
InChIKeyJBZYAVOBCYGEFF-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds8

About 3,4,6,7,7-pentamethyl-6-propan-2-yldecane

3,4,6,7,7-pentamethyl-6-propan-2-yldecane (PubChem CID 123370123) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 3,4,6,7,7-pentamethyl-6-propan-2-yldecane.

Molecular Properties

Compound Name3,4,6,7,7-pentamethyl-6-propan-2-yldecane
PubChem CID123370123
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name3,4,6,7,7-pentamethyl-6-propan-2-yldecane
SMILESCCCC(C)(C)C(C)(CC(C)C(C)CC)C(C)C
InChIInChI=1S/C18H38/c1-10-12-17(7,8)18(9,14(3)4)13-16(6)15(5)11-2/h14-16H,10-13H2,1-9H3
InChIKeyJBZYAVOBCYGEFF-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
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methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348
N-ethyl-2,3-dimethyl-N-(2-methylpentan-2-yl)pentan-1-amine
CID 126705682
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
2,3,3,7,8-pentamethyldecane
CID 91370129
2,4-dimethylheptan-4-olate
CID 58624964
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
CID 91437014
CID 91437014
6-ethyl-3-methylnonane-4,6-diol
CID 87743551
(3R)-3,4-dimethylheptane
CID 59819300
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,7-pentamethyl-6-propan-2-yldecane?
The IUPAC name of 3,4,6,7,7-pentamethyl-6-propan-2-yldecane (CID 123370123) is 3,4,6,7,7-pentamethyl-6-propan-2-yldecane.
What is the SMILES notation for 3,4,6,7,7-pentamethyl-6-propan-2-yldecane?
The canonical SMILES for 3,4,6,7,7-pentamethyl-6-propan-2-yldecane is CCCC(C)(C)C(C)(CC(C)C(C)CC)C(C)C.
What is the InChIKey of 3,4,6,7,7-pentamethyl-6-propan-2-yldecane?
The InChIKey is JBZYAVOBCYGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-10-12-17(7,8)18(9,14(3)4)13-16(6)15(5)11-2/h14-16H,10-13H2,1-9H3.
What are the key properties of 3,4,6,7,7-pentamethyl-6-propan-2-yldecane?
3,4,6,7,7-pentamethyl-6-propan-2-yldecane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,7-pentamethyl-6-propan-2-yldecane is sourced from PubChem (CID 123370123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).