(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one

C14H22O2 — CID 15074427

IUPAC(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one
SMILESCCC[C@H]1C(=O)C=CC=C(OC)[C@@H]1CCC
InChIInChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h6,9-12H,4-5,7-8H2,1-3H3/t11-,12-/m1/s1
InChIKeyNPLPAYHLYFDCFR-VXGBXAGGSA-N
MW222.33 g/mol
LogP3.49
Rot. Bonds5

About (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one

(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one (PubChem CID 15074427) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one.

Molecular Properties

Compound Name(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one
PubChem CID15074427
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one
SMILESCCC[C@H]1C(=O)C=CC=C(OC)[C@@H]1CCC
InChIInChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h6,9-12H,4-5,7-8H2,1-3H3/t11-,12-/m1/s1
InChIKeyNPLPAYHLYFDCFR-VXGBXAGGSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one 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

5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
(4R,5R)-3-methoxy-4,5-dipropylcyclopent-2-en-1-one
CID 14068210
(6R,7R)-5-methoxy-6-methyl-7-propylcyclohepta-2,4-dien-1-one
CID 135081061
2-Cyclopenten-1-one, 4-butyl-3-methoxy-
CID 573931
3-Methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
Cyclohex-3-en-1-yl-(2-methoxy-5-methylidenecyclopenten-1-yl)methanone
CID 141881785
1-(4-Methoxy-5,7-dimethylcyclohepta-1,3-dien-1-yl)ethanone
CID 144788944
3-methoxy-2-[(E)-oct-5-en-2-yl]cyclopent-2-en-1-one
CID 170700906
1-[(1R,6R)-3,4-dimethyl-6-[[(Z)-prop-1-enoxy]methyl]cyclohex-3-en-1-yl]ethanone
CID 10561001
1-[(1R,6R)-3,4-dimethyl-6-[[(E)-prop-1-enoxy]methyl]cyclohex-3-en-1-yl]ethanone
CID 10966104
(6S,7S)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one
CID 10998621
3-Methoxy-6-pent-4-enylcyclohex-2-en-1-one
CID 12836522

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one?
The IUPAC name of (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one (CID 15074427) is (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one.
What is the SMILES notation for (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one?
The canonical SMILES for (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one is CCC[C@H]1C(=O)C=CC=C(OC)[C@@H]1CCC.
What is the InChIKey of (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one?
The InChIKey is NPLPAYHLYFDCFR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-11-12(8-5-2)14(16-3)10-6-9-13(11)15/h6,9-12H,4-5,7-8H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one?
(6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-5-methoxy-6,7-dipropylcyclohepta-2,4-dien-1-one is sourced from PubChem (CID 15074427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).