2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one

C14H26O2 — CID 143288514

IUPAC2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
SMILESC=C(C)CC(C)C.O=C1CCCCC1CO
InChIInChI=1S/C7H12O2.C7H14/c8-5-6-3-1-2-4-7(6)9;1-6(2)5-7(3)4/h6,8H,1-5H2;7H,1,5H2,2-4H3
InChIKeyJOJXUUVQPVSBGN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.35
Rot. Bonds3

About 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one

2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one (PubChem CID 143288514) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
PubChem CID143288514
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one
SMILESC=C(C)CC(C)C.O=C1CCCCC1CO
InChIInChI=1S/C7H12O2.C7H14/c8-5-6-3-1-2-4-7(6)9;1-6(2)5-7(3)4/h6,8H,1-5H2;7H,1,5H2,2-4H3
InChIKeyJOJXUUVQPVSBGN-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one?
The IUPAC name of 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one (CID 143288514) is 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one.
What is the SMILES notation for 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one?
The canonical SMILES for 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one is C=C(C)CC(C)C.O=C1CCCCC1CO.
What is the InChIKey of 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one?
The InChIKey is JOJXUUVQPVSBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C7H14/c8-5-6-3-1-2-4-7(6)9;1-6(2)5-7(3)4/h6,8H,1-5H2;7H,1,5H2,2-4H3.
What are the key properties of 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one?
2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-1-ene;2-(hydroxymethyl)cyclohexan-1-one is sourced from PubChem (CID 143288514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).