16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione

C27H36O5 — CID 162936846

IUPAC16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
SMILESC=C(C=CC)C(O)C1=CC(=O)C2=C(OC34CCC(O)C(C)(C)C3CCC(C)C4(C)C2)C1=O
InChIInChI=1S/C27H36O5/c1-7-8-15(2)22(30)17-13-19(28)18-14-26(6)16(3)9-10-20-25(4,5)21(29)11-12-27(20,26)32-24(18)23(17)31/h7-8,13,16,20-22,29-30H,2,9-12,14H2,1,3-6H3
InChIKeyKCQFTYLKISEUKX-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.20
Rot. Bonds3

About 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione

16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione (PubChem CID 162936846) has the molecular formula C27H36O5 and a molecular weight of 440.58 g/mol. Its IUPAC name is 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione.

Molecular Properties

Compound Name16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
PubChem CID162936846
Molecular FormulaC27H36O5
Molecular Weight440.58 g/mol
Exact Mass440.26
IUPAC Name16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
SMILESC=C(C=CC)C(O)C1=CC(=O)C2=C(OC34CCC(O)C(C)(C)C3CCC(C)C4(C)C2)C1=O
InChIInChI=1S/C27H36O5/c1-7-8-15(2)22(30)17-13-19(28)18-14-26(6)16(3)9-10-20-25(4,5)21(29)11-12-27(20,26)32-24(18)23(17)31/h7-8,13,16,20-22,29-30H,2,9-12,14H2,1,3-6H3
InChIKeyKCQFTYLKISEUKX-UHFFFAOYSA-N
XLogP4.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione 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,10R,11S,14S,16S)-16-hydroxy-5-[(E,1R)-1-hydroxy-2-methylidenepent-3-enyl]-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
CID 162936847
(3S,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6'-one
CID 139048358
(1S,13R,14S,17S,19S)-5,19-dihydroxy-13,14,18,18-tetramethyl-10-phenylmethoxy-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-7-one
CID 86753791
(1S,13R,14S,17S,19S)-13,14,18,18-tetramethyl-10-phenylmethoxy-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-19-ol
CID 86753797
methyl (3S,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-5'-carboxylate
CID 154700470
(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-furo[2,3-e]isoindole]-6'-one
CID 23955789
(7-hydroxy-1,2,6,6,10,17,20-heptamethyl-12-oxo-17-tetracyclo[12.8.0.05,10.015,20]docos-13-enyl)urea
CID 123900366
(2R,4aS,4bR,7S,8S,8aR,10aR)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3H-1-benzofuran]-2,5'-diol
CID 162901579
(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
CID 15699930
(2R)-2-[[(1R,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-methyl-2H-furan-5-one
CID 155513709
(2S)-2-[[(1S,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-methyl-2H-furan-5-one
CID 101155284
(10R,11S,14S)-6-methoxy-10,11,14-trimethyl-15-methylidene-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione
CID 163010093

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The IUPAC name of 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione (CID 162936846) is 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione.
What is the SMILES notation for 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The canonical SMILES for 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione is C=C(C=CC)C(O)C1=CC(=O)C2=C(OC34CCC(O)C(C)(C)C3CCC(C)C4(C)C2)C1=O.
What is the InChIKey of 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
The InChIKey is KCQFTYLKISEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O5/c1-7-8-15(2)22(30)17-13-19(28)18-14-26(6)16(3)9-10-20-25(4,5)21(29)11-12-27(20,26)32-24(18)23(17)31/h7-8,13,16,20-22,29-30H,2,9-12,14H2,1,3-6H3.
What are the key properties of 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione?
16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione has a molecular weight of 440.58 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-5-(1-hydroxy-2-methylidenepent-3-enyl)-10,11,15,15-tetramethyl-2-oxatetracyclo[8.8.0.01,14.03,8]octadeca-3(8),5-diene-4,7-dione is sourced from PubChem (CID 162936846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).