(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione

C20H26O3 — CID 155526757

IUPAC(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione
SMILESCC1=C2C[C@]3(C)C(=O)C=C(C(C)C)C3CC(O)/C(C)=C\2CC1=O
InChIInChI=1S/C20H26O3/c1-10(2)13-7-19(23)20(5)9-15-12(4)17(21)6-14(15)11(3)18(22)8-16(13)20/h7,10,16,18,22H,6,8-9H2,1-5H3/b14-11-/t16?,18?,20-/m0/s1
InChIKeyGQVDVKQNOOOQPP-PBDLSTNISA-N
MW314.43 g/mol
LogP3.53
Rot. Bonds1

About (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione

(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione (PubChem CID 155526757) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione.

Molecular Properties

Compound Name(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione
PubChem CID155526757
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione
SMILESCC1=C2C[C@]3(C)C(=O)C=C(C(C)C)C3CC(O)/C(C)=C\2CC1=O
InChIInChI=1S/C20H26O3/c1-10(2)13-7-19(23)20(5)9-15-12(4)17(21)6-14(15)11(3)18(22)8-16(13)20/h7,10,16,18,22H,6,8-9H2,1-5H3/b14-11-/t16?,18?,20-/m0/s1
InChIKeyGQVDVKQNOOOQPP-PBDLSTNISA-N
XLogP3.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione?
The IUPAC name of (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione (CID 155526757) is (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione.
What is the SMILES notation for (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione?
The canonical SMILES for (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione is CC1=C2C[C@]3(C)C(=O)C=C(C(C)C)C3CC(O)/C(C)=C\2CC1=O.
What is the InChIKey of (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione?
The InChIKey is GQVDVKQNOOOQPP-PBDLSTNISA-N. The full InChI is InChI=1S/C20H26O3/c1-10(2)13-7-19(23)20(5)9-15-12(4)17(21)6-14(15)11(3)18(22)8-16(13)20/h7,10,16,18,22H,6,8-9H2,1-5H3/b14-11-/t16?,18?,20-/m0/s1.
What are the key properties of (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione?
(3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione has a molecular weight of 314.43 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,10Z)-9-hydroxy-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),5,10-triene-4,13-dione is sourced from PubChem (CID 155526757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).