(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one

C20H32O2 — CID 102326041

IUPAC(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one
SMILESC/C1=C/[C@H]2[C@@H](CC[C@@H](C)C(=O)CC1)[C@@]1(C)CC[C@]2(C(C)C)O1
InChIInChI=1S/C20H32O2/c1-13(2)20-11-10-19(5,22-20)16-8-7-15(4)18(21)9-6-14(3)12-17(16)20/h12-13,15-17H,6-11H2,1-5H3/b14-12-/t15-,16-,17+,19-,20-/m1/s1
InChIKeyGFYTYKQMRBPWBR-NQKHAADXSA-N
MW304.47 g/mol
LogP4.92
Rot. Bonds1

About (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one

(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one (PubChem CID 102326041) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one.

Molecular Properties

Compound Name(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one
PubChem CID102326041
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one
SMILESC/C1=C/[C@H]2[C@@H](CC[C@@H](C)C(=O)CC1)[C@@]1(C)CC[C@]2(C(C)C)O1
InChIInChI=1S/C20H32O2/c1-13(2)20-11-10-19(5,22-20)16-8-7-15(4)18(21)9-6-14(3)12-17(16)20/h12-13,15-17H,6-11H2,1-5H3/b14-12-/t15-,16-,17+,19-,20-/m1/s1
InChIKeyGFYTYKQMRBPWBR-NQKHAADXSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-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

(1R,2R,5R,9E,11S,12S)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxatricyclo[10.2.1.02,11]pentadeca-9,13-dien-6-one
CID 102254404
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
(4aS,6R,9aR)-2,6,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-one
CID 11053192
(1S,2S,3R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 131857462
(1R,2S,3R,4R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 124867138
12-hydroxy-4,8,12,16-tetramethyl-14-oxabicyclo[11.3.1]heptadec-8-ene-5,15-dione
CID 163109260
(1S,5S,7S,8S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5-sulfonic acid
CID 71461607
(1S,2S,5R,6S,7R,8S)-7-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecane-5-sulfonic acid
CID 100941984
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
(1R,3R,7R,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undecane-2,6-dione
CID 7103251

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one?
The IUPAC name of (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one (CID 102326041) is (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one.
What is the SMILES notation for (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one?
The canonical SMILES for (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one is C/C1=C/[C@H]2[C@@H](CC[C@@H](C)C(=O)CC1)[C@@]1(C)CC[C@]2(C(C)C)O1.
What is the InChIKey of (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one?
The InChIKey is GFYTYKQMRBPWBR-NQKHAADXSA-N. The full InChI is InChI=1S/C20H32O2/c1-13(2)20-11-10-19(5,22-20)16-8-7-15(4)18(21)9-6-14(3)12-17(16)20/h12-13,15-17H,6-11H2,1-5H3/b14-12-/t15-,16-,17+,19-,20-/m1/s1.
What are the key properties of (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one?
(1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one has a molecular weight of 304.47 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,9Z,11S,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxatricyclo[10.2.1.02,11]pentadec-9-en-6-one is sourced from PubChem (CID 102326041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).