(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one

C15H22O — CID 101475135

IUPAC(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
SMILESC/C1=C\CCCC/C=C/C=C\CCCC1=O
InChIInChI=1S/C15H22O/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(14)16/h2-3,5,7,12H,4,6,8-11,13H2,1H3/b3-2+,7-5-,14-12+
InChIKeyIPEYYLDMIQVSNS-ARIBBDHCSA-N
MW218.34 g/mol
LogP4.36
Rot. Bonds

About (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one

(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one (PubChem CID 101475135) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one.

Molecular Properties

Compound Name(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
PubChem CID101475135
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
SMILESC/C1=C\CCCC/C=C/C=C\CCCC1=O
InChIInChI=1S/C15H22O/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(14)16/h2-3,5,7,12H,4,6,8-11,13H2,1H3/b3-2+,7-5-,14-12+
InChIKeyIPEYYLDMIQVSNS-ARIBBDHCSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one with MolForge

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Related Compounds

(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
CID 144676209
(7Z)-cyclododec-7-ene-1,2-dione
CID 15642693
cyclohexadeca-2,4-dien-1-one
CID 154444863
(1E,3E)-cycloocta-1,3-diene
CID 6330372
(8Z)-cycloheptadec-8-ene-1,2-dione
CID 70189599
(3E)-cyclododec-3-ene-1,2-dione
CID 14605760
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z,5Z,7Z,9E,11E,13E,15Z,17E,19E,21E,23Z)-cyclooctacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 173020706
(1Z,3E,5E,7Z,9E)-cyclotetradeca-1,3,5,7,9-pentaene
CID 173043953
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220

Frequently Asked Questions

What is the IUPAC name of (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one?
The IUPAC name of (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one (CID 101475135) is (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one.
What is the SMILES notation for (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one?
The canonical SMILES for (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one is C/C1=C\CCCC/C=C/C=C\CCCC1=O.
What is the InChIKey of (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one?
The InChIKey is IPEYYLDMIQVSNS-ARIBBDHCSA-N. The full InChI is InChI=1S/C15H22O/c1-14-12-10-8-6-4-2-3-5-7-9-11-13-15(14)16/h2-3,5,7,12H,4,6,8-11,13H2,1H3/b3-2+,7-5-,14-12+.
What are the key properties of (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one?
(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one is sourced from PubChem (CID 101475135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).