(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one

C20H24O2 — CID 162871303

IUPAC(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one
SMILESC=C1CC2=C3/C(=C\C=C(\C)CC2)C=C(C(C)C)C(=O)[C@]3(O)C1
InChIInChI=1S/C20H24O2/c1-12(2)17-10-16-8-6-13(3)5-7-15-9-14(4)11-20(22,18(15)16)19(17)21/h6,8,10,12,22H,4-5,7,9,11H2,1-3H3/b13-6-,16-8-/t20-/m0/s1
InChIKeyZIVKXPOGSKSQTF-DOBJVIKBSA-N
MW296.41 g/mol
LogP4.20
Rot. Bonds1

About (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one

(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one (PubChem CID 162871303) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one.

Molecular Properties

Compound Name(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one
PubChem CID162871303
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one
SMILESC=C1CC2=C3/C(=C\C=C(\C)CC2)C=C(C(C)C)C(=O)[C@]3(O)C1
InChIInChI=1S/C20H24O2/c1-12(2)17-10-16-8-6-13(3)5-7-15-9-14(4)11-20(22,18(15)16)19(17)21/h6,8,10,12,22H,4-5,7,9,11H2,1-3H3/b13-6-,16-8-/t20-/m0/s1
InChIKeyZIVKXPOGSKSQTF-DOBJVIKBSA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one with MolForge

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Related Compounds

3-Hydroxy-2-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-2,5-cyclohexadiene-1,4-dione
CID 11393311
5-Hydroxy-5-isopropyl-3,8-dimethyl-7,8-dihydronaphthalene-1,2,6-trione
CID 5275546
Grandilobatin E
CID 44585761
3-hydroxy-2-[(1R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 44349512
(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione
CID 10912308
Taichunin D
CID 145720905
(2Z,7E,9E,13R)-10-(2-hydroxypropan-2-yl)-3,7,13-trimethylcyclotetradeca-2,7,9-trien-1-one
CID 162977450
5-[(1R,8aR)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-2-methylpent-1-en-3-one
CID 163003849
(5S)-5-hydroxy-6,6,11-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-1(13),2,9(14),11-tetraen-4-one
CID 163093447
5-[(1R,8aS)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-2-methylpent-1-en-3-one
CID 163188266
(+)-euroticin I
CID 170990415
(-)-euroticin I
CID 170990416

Frequently Asked Questions

What is the IUPAC name of (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one?
The IUPAC name of (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one (CID 162871303) is (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one.
What is the SMILES notation for (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one?
The canonical SMILES for (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one is C=C1CC2=C3/C(=C\C=C(\C)CC2)C=C(C(C)C)C(=O)[C@]3(O)C1.
What is the InChIKey of (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one?
The InChIKey is ZIVKXPOGSKSQTF-DOBJVIKBSA-N. The full InChI is InChI=1S/C20H24O2/c1-12(2)17-10-16-8-6-13(3)5-7-15-9-14(4)11-20(22,18(15)16)19(17)21/h6,8,10,12,22H,4-5,7,9,11H2,1-3H3/b13-6-,16-8-/t20-/m0/s1.
What are the key properties of (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one?
(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one has a molecular weight of 296.41 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one is sourced from PubChem (CID 162871303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).