3,5-dimethylheptane;ethane;methanol;propane

C17H44O — CID 176685880

IUPAC3,5-dimethylheptane;ethane;methanol;propane
SMILESCC.CC.CCC.CCC(C)CC(C)CC.CO
InChIInChI=1S/C9H20.C3H8.2C2H6.CH4O/c1-5-8(3)7-9(4)6-2;1-3-2;3*1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyHZBOIAZSDNTPPE-UHFFFAOYSA-N
MW264.54 g/mol
LogP6.55
Rot. Bonds4

About 3,5-dimethylheptane;ethane;methanol;propane

3,5-dimethylheptane;ethane;methanol;propane (PubChem CID 176685880) has the molecular formula C17H44O and a molecular weight of 264.54 g/mol. Its IUPAC name is 3,5-dimethylheptane;ethane;methanol;propane.

Molecular Properties

Compound Name3,5-dimethylheptane;ethane;methanol;propane
PubChem CID176685880
Molecular FormulaC17H44O
Molecular Weight264.54 g/mol
Exact Mass264.34
IUPAC Name3,5-dimethylheptane;ethane;methanol;propane
SMILESCC.CC.CCC.CCC(C)CC(C)CC.CO
InChIInChI=1S/C9H20.C3H8.2C2H6.CH4O/c1-5-8(3)7-9(4)6-2;1-3-2;3*1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyHZBOIAZSDNTPPE-UHFFFAOYSA-N
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.54
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethylheptane;ethane;methanol;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethylheptane;ethane
CID 172617343
2,4-dimethylhexane;propane
CID 143348383
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
3-methylpentane;propane
CID 123266773
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
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
acetylene;ethane;3-methylpentane;propane
CID 143705259
(4S)-2,4-dimethylhexane
CID 22810193

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptane;ethane;methanol;propane?
The IUPAC name of 3,5-dimethylheptane;ethane;methanol;propane (CID 176685880) is 3,5-dimethylheptane;ethane;methanol;propane.
What is the SMILES notation for 3,5-dimethylheptane;ethane;methanol;propane?
The canonical SMILES for 3,5-dimethylheptane;ethane;methanol;propane is CC.CC.CCC.CCC(C)CC(C)CC.CO.
What is the InChIKey of 3,5-dimethylheptane;ethane;methanol;propane?
The InChIKey is HZBOIAZSDNTPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C3H8.2C2H6.CH4O/c1-5-8(3)7-9(4)6-2;1-3-2;3*1-2/h8-9H,5-7H2,1-4H3;3H2,1-2H3;2*1-2H3;2H,1H3.
What are the key properties of 3,5-dimethylheptane;ethane;methanol;propane?
3,5-dimethylheptane;ethane;methanol;propane has a molecular weight of 264.54 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptane;ethane;methanol;propane is sourced from PubChem (CID 176685880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).