3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane

C29H66 — CID 159718510

IUPAC3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
SMILESCCC(C)CC.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(C)CC
InChIInChI=1S/C9H20.2C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-4-6(3)5-2/h5-8H2,1-4H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyMZSSKDHTEPLLMY-UHFFFAOYSA-N
MW414.85 g/mol
LogP11.72
Rot. Bonds12

About 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane

3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane (PubChem CID 159718510) has the molecular formula C29H66 and a molecular weight of 414.85 g/mol. Its IUPAC name is 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane.

Molecular Properties

Compound Name3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
PubChem CID159718510
Molecular FormulaC29H66
Molecular Weight414.85 g/mol
Exact Mass414.52
IUPAC Name3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane
SMILESCCC(C)CC.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(C)CC
InChIInChI=1S/C9H20.2C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-4-6(3)5-2/h5-8H2,1-4H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyMZSSKDHTEPLLMY-UHFFFAOYSA-N
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-diethylpentane;3-methylhexane;3-methylpentane
CID 160955988
6-ethyl-3-methylnonane;methane
CID 142358245
butane;3,3-diethyloctane;bis(3,3-diethylpentane);2,3-dimethylbutane;heptane;bis(hexane);methane;3-methylhexane;3-methylpentane;octane
CID 161459220
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
3-methylhexane;3-methylpentane;pentane
CID 158601477
(3R,6R)-3,6-dimethylnonane
CID 170848352
4-ethylheptane;3-methylheptane
CID 143099611
11-ethyl-3-methyltetradecane
CID 123200411
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3,3,8-trimethyl-5-propyldecane
CID 142826348
cyclohexane;2,4-dimethylpentane;3-ethylpentane;2-methylhexane;3-methylhexane;bis(2-methylpentane);3-methylpentane
CID 174511255
3-methylhexane;2-methylprop-1-ene
CID 165405684

Frequently Asked Questions

What is the IUPAC name of 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane?
The IUPAC name of 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane (CID 159718510) is 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane.
What is the SMILES notation for 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane?
The canonical SMILES for 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane is CCC(C)CC.CCC(CC)(CC)CC.CCC(CC)CC.CCCC(C)CC.
What is the InChIKey of 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane?
The InChIKey is MZSSKDHTEPLLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2C7H16.C6H14/c1-5-9(6-2,7-3)8-4;1-4-6-7(3)5-2;1-4-7(5-2)6-3;1-4-6(3)5-2/h5-8H2,1-4H3;2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane?
3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane has a molecular weight of 414.85 g/mol, XLogP of 11.72, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylpentane;3-ethylpentane;3-methylhexane;3-methylpentane is sourced from PubChem (CID 159718510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).