2-methylheptane;propan-2-ol;propan-2-one

C14H32O2 — CID 175261137

IUPAC2-methylheptane;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCCCCC(C)C
InChIInChI=1S/C8H18.C3H8O.C3H6O/c1-4-5-6-7-8(2)3;2*1-3(2)4/h8H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3
InChIKeyBNJIWEJEHUELML-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.21
Rot. Bonds4

About 2-methylheptane;propan-2-ol;propan-2-one

2-methylheptane;propan-2-ol;propan-2-one (PubChem CID 175261137) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-methylheptane;propan-2-ol;propan-2-one.

Molecular Properties

Compound Name2-methylheptane;propan-2-ol;propan-2-one
PubChem CID175261137
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Name2-methylheptane;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCCCCC(C)C
InChIInChI=1S/C8H18.C3H8O.C3H6O/c1-4-5-6-7-8(2)3;2*1-3(2)4/h8H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3
InChIKeyBNJIWEJEHUELML-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylnonadecane;propan-2-one
CID 141405407
acetonitrile;2-methylheptane;propan-2-one
CID 174907692
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
cobalt;2-methylheptane
CID 175521472
2-methyloctacosane
CID 519147
16-methylheptadecane-7,8-diol
CID 118508542
35-methylhexatriacontan-18-one
CID 154265958

Frequently Asked Questions

What is the IUPAC name of 2-methylheptane;propan-2-ol;propan-2-one?
The IUPAC name of 2-methylheptane;propan-2-ol;propan-2-one (CID 175261137) is 2-methylheptane;propan-2-ol;propan-2-one.
What is the SMILES notation for 2-methylheptane;propan-2-ol;propan-2-one?
The canonical SMILES for 2-methylheptane;propan-2-ol;propan-2-one is CC(C)=O.CC(C)O.CCCCCC(C)C.
What is the InChIKey of 2-methylheptane;propan-2-ol;propan-2-one?
The InChIKey is BNJIWEJEHUELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H8O.C3H6O/c1-4-5-6-7-8(2)3;2*1-3(2)4/h8H,4-7H2,1-3H3;3-4H,1-2H3;1-2H3.
What are the key properties of 2-methylheptane;propan-2-ol;propan-2-one?
2-methylheptane;propan-2-ol;propan-2-one has a molecular weight of 232.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptane;propan-2-ol;propan-2-one is sourced from PubChem (CID 175261137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).