(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one

C18H24O5 — CID 102259060

IUPAC(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one
SMILESC=C[C@@H]1C[C@@H]2/C=C\CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3C(=O)[C@@H]2C1
InChIInChI=1S/C18H24O5/c1-4-10-8-11-6-5-7-20-15-14(13(19)12(11)9-10)21-17-16(15)22-18(2,3)23-17/h4-6,10-12,14-17H,1,7-9H2,2-3H3/b6-5-/t10-,11+,12-,14-,15+,16-,17-/m1/s1
InChIKeyIMQOZCKDGSCYTH-HCRPCIOTSA-N
MW320.39 g/mol
LogP2.22
Rot. Bonds1

About (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one

(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one (PubChem CID 102259060) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one.

Molecular Properties

Compound Name(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one
PubChem CID102259060
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one
SMILESC=C[C@@H]1C[C@@H]2/C=C\CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3C(=O)[C@@H]2C1
InChIInChI=1S/C18H24O5/c1-4-10-8-11-6-5-7-20-15-14(13(19)12(11)9-10)21-17-16(15)22-18(2,3)23-17/h4-6,10-12,14-17H,1,7-9H2,2-3H3/b6-5-/t10-,11+,12-,14-,15+,16-,17-/m1/s1
InChIKeyIMQOZCKDGSCYTH-HCRPCIOTSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-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

(1S,3R,5R,7R,8Z,11S,12R,16R)-5-ethenyl-14,14-dimethyl-11-phenylmethoxy-13,15,17-trioxatetracyclo[9.6.0.03,7.012,16]heptadec-8-en-2-one
CID 25259331
(2S,3aS,5aR,7R,8aR,9aS)-2,7-bis(ethenyl)-1,2,3,3a,5a,6,7,8,8a,9a-decahydrocyclopenta[f]azulen-9-one
CID 16726764
3-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2H-furan-5-one
CID 25189025
(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one
CID 101194126
(2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylic acid
CID 51062769
(1R,6E,10S,11R,15R)-2-methoxy-13,13-dimethyl-9,12,14,16-tetraoxatricyclo[8.6.0.011,15]hexadec-6-ene
CID 177468307
(1R,2R,6S,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885600
(1R,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885604
[(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[(1S,2S,4S)-2,4-bis(ethenyl)cyclopentyl]methanone
CID 102259057
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-prop-2-enoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethanone
CID 25189300
2,2,5-trimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-ol
CID 130142145
(1S,2S,6R,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 101083477

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one?
The IUPAC name of (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one (CID 102259060) is (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one.
What is the SMILES notation for (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one?
The canonical SMILES for (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one is C=C[C@@H]1C[C@@H]2/C=C\CO[C@@H]3[C@H]4OC(C)(C)O[C@H]4O[C@@H]3C(=O)[C@@H]2C1.
What is the InChIKey of (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one?
The InChIKey is IMQOZCKDGSCYTH-HCRPCIOTSA-N. The full InChI is InChI=1S/C18H24O5/c1-4-10-8-11-6-5-7-20-15-14(13(19)12(11)9-10)21-17-16(15)22-18(2,3)23-17/h4-6,10-12,14-17H,1,7-9H2,2-3H3/b6-5-/t10-,11+,12-,14-,15+,16-,17-/m1/s1.
What are the key properties of (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one?
(1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R,7R,8Z,12R,13R,17R)-5-ethenyl-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.03,7.013,17]octadec-8-en-2-one is sourced from PubChem (CID 102259060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).