3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane

C27H60 — CID 153382410

IUPAC3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
SMILESCCC(C)C(C)CC.CCCC(C)C(C)C(C)C.CCCC(CC)C(C)C
InChIInChI=1S/C10H22.C9H20.C8H18/c1-6-7-9(4)10(5)8(2)3;1-5-7-9(6-2)8(3)4;1-5-7(3)8(4)6-2/h8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyVERKWWXOOUKACI-UHFFFAOYSA-N
MW384.78 g/mol
LogP10.26
Rot. Bonds11

About 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane

3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane (PubChem CID 153382410) has the molecular formula C27H60 and a molecular weight of 384.78 g/mol. Its IUPAC name is 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane.

Molecular Properties

Compound Name3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
PubChem CID153382410
Molecular FormulaC27H60
Molecular Weight384.78 g/mol
Exact Mass384.47
IUPAC Name3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
SMILESCCC(C)C(C)CC.CCCC(C)C(C)C(C)C.CCCC(CC)C(C)C
InChIInChI=1S/C10H22.C9H20.C8H18/c1-6-7-9(4)10(5)8(2)3;1-5-7-9(6-2)8(3)4;1-5-7(3)8(4)6-2/h8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyVERKWWXOOUKACI-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.78
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
(3R)-3-ethyl-2-methylhexane
CID 59954424
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
(3R)-3,4-dimethylheptane
CID 59819300
4,5-diethyloctane
CID 519254
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
(4S)-2,3,4-trimethylhexane
CID 58359072
5-ethyl-2,6,7-trimethyldecane
CID 123648141
2,3,6,7-tetramethyl-5-propylnonane
CID 91235316
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane?
The IUPAC name of 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane (CID 153382410) is 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane.
What is the SMILES notation for 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane?
The canonical SMILES for 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane is CCC(C)C(C)CC.CCCC(C)C(C)C(C)C.CCCC(CC)C(C)C.
What is the InChIKey of 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane?
The InChIKey is VERKWWXOOUKACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H20.C8H18/c1-6-7-9(4)10(5)8(2)3;1-5-7-9(6-2)8(3)4;1-5-7(3)8(4)6-2/h8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane?
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane has a molecular weight of 384.78 g/mol, XLogP of 10.26, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane is sourced from PubChem (CID 153382410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).