3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane

C27H60 — CID 161182355

IUPAC3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
SMILESCCC(C)C(C)CC.CCC(C)CC(C)CC.CCC(C)CCC(C)CC
InChIInChI=1S/C10H22.C9H20.C8H18/c1-5-9(3)7-8-10(4)6-2;1-5-8(3)7-9(4)6-2;1-5-7(3)8(4)6-2/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyUSQBJPSNKISWMF-UHFFFAOYSA-N
MW384.78 g/mol
LogP10.41
Rot. Bonds12

About 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane

3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane (PubChem CID 161182355) has the molecular formula C27H60 and a molecular weight of 384.78 g/mol. Its IUPAC name is 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane.

Molecular Properties

Compound Name3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
PubChem CID161182355
Molecular FormulaC27H60
Molecular Weight384.78 g/mol
Exact Mass384.47
IUPAC Name3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
SMILESCCC(C)C(C)CC.CCC(C)CC(C)CC.CCC(C)CCC(C)CC
InChIInChI=1S/C10H22.C9H20.C8H18/c1-5-9(3)7-8-10(4)6-2;1-5-8(3)7-9(4)6-2;1-5-7(3)8(4)6-2/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyUSQBJPSNKISWMF-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.78
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5,7,10,12-pentamethyltetradecane
CID 59582352
3,5-dimethylheptane;ethane
CID 172617343
2,4,7,9-tetramethylundecane
CID 91346710
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
3,4,11-trimethyltridecane
CID 123211760
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,4,5,6,8-pentamethyldecane
CID 123810037
3,5,7,9-tetramethyldodecane
CID 91047062
2-methoxy-3,6-dimethyloctane
CID 91203473
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
(3R,6R)-3,6-dimethylnonane
CID 170848352

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane?
The IUPAC name of 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane (CID 161182355) is 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane.
What is the SMILES notation for 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane?
The canonical SMILES for 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane is CCC(C)C(C)CC.CCC(C)CC(C)CC.CCC(C)CCC(C)CC.
What is the InChIKey of 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane?
The InChIKey is USQBJPSNKISWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H20.C8H18/c1-5-9(3)7-8-10(4)6-2;1-5-8(3)7-9(4)6-2;1-5-7(3)8(4)6-2/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane?
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane has a molecular weight of 384.78 g/mol, XLogP of 10.41, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane is sourced from PubChem (CID 161182355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).