5-(cyclohexylmethyl)-3-methylhex-5-en-2-one

C14H24O — CID 102259512

IUPAC5-(cyclohexylmethyl)-3-methylhex-5-en-2-one
SMILESC=C(CC1CCCCC1)CC(C)C(C)=O
InChIInChI=1S/C14H24O/c1-11(9-12(2)13(3)15)10-14-7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3
InChIKeyMWINKZMGRVCPSI-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds5

About 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one

5-(cyclohexylmethyl)-3-methylhex-5-en-2-one (PubChem CID 102259512) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-methylhex-5-en-2-one
PubChem CID102259512
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-(cyclohexylmethyl)-3-methylhex-5-en-2-one
SMILESC=C(CC1CCCCC1)CC(C)C(C)=O
InChIInChI=1S/C14H24O/c1-11(9-12(2)13(3)15)10-14-7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3
InChIKeyMWINKZMGRVCPSI-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one?
The IUPAC name of 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one (CID 102259512) is 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one?
The canonical SMILES for 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one is C=C(CC1CCCCC1)CC(C)C(C)=O.
What is the InChIKey of 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one?
The InChIKey is MWINKZMGRVCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(9-12(2)13(3)15)10-14-7-5-4-6-8-14/h12,14H,1,4-10H2,2-3H3.
What are the key properties of 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one?
5-(cyclohexylmethyl)-3-methylhex-5-en-2-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-methylhex-5-en-2-one is sourced from PubChem (CID 102259512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).