3,5-dimethylheptane;ethane

C13H32 — CID 172617343

IUPAC3,5-dimethylheptane;ethane
SMILESCC.CC.CCC(C)CC(C)CC
InChIInChI=1S/C9H20.2C2H6/c1-5-8(3)7-9(4)6-2;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3
InChIKeyOAZFCJBSOXZRMO-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.52
Rot. Bonds4

About 3,5-dimethylheptane;ethane

3,5-dimethylheptane;ethane (PubChem CID 172617343) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is 3,5-dimethylheptane;ethane.

Molecular Properties

Compound Name3,5-dimethylheptane;ethane
PubChem CID172617343
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Name3,5-dimethylheptane;ethane
SMILESCC.CC.CCC(C)CC(C)CC
InChIInChI=1S/C9H20.2C2H6/c1-5-8(3)7-9(4)6-2;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3
InChIKeyOAZFCJBSOXZRMO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
ethane;3-methylpentane
CID 91147782
1-fluoro-2,4-dimethylhexane
CID 123953899
2,4,6,8-tetramethyldecane
CID 54224604
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(2S)-4-methylhexan-2-amine
CID 141201507
(4S)-2,4-dimethylhexane
CID 22810193
(5S)-3-ethyl-5-methylheptane
CID 59094044
2,4-dimethylhexane;propane
CID 143348383
(4R)-2,4-dimethylhexane;methane
CID 157133469
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptane;ethane?
The IUPAC name of 3,5-dimethylheptane;ethane (CID 172617343) is 3,5-dimethylheptane;ethane.
What is the SMILES notation for 3,5-dimethylheptane;ethane?
The canonical SMILES for 3,5-dimethylheptane;ethane is CC.CC.CCC(C)CC(C)CC.
What is the InChIKey of 3,5-dimethylheptane;ethane?
The InChIKey is OAZFCJBSOXZRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2C2H6/c1-5-8(3)7-9(4)6-2;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of 3,5-dimethylheptane;ethane?
3,5-dimethylheptane;ethane has a molecular weight of 188.40 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptane;ethane is sourced from PubChem (CID 172617343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).