11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one

C15H18O4 — CID 75072242

IUPAC11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one
SMILESC=C1C(=O)OC2C1CC=C(C)C1(O)C3CC(C)(O3)C21
InChIInChI=1S/C15H18O4/c1-7-4-5-9-8(2)13(16)18-11(9)12-14(3)6-10(19-14)15(7,12)17/h4,9-12,17H,2,5-6H2,1,3H3
InChIKeyLDGHSQJVMCMJNB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.34
Rot. Bonds

About 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one

11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one (PubChem CID 75072242) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one.

Molecular Properties

Compound Name11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one
PubChem CID75072242
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one
SMILESC=C1C(=O)OC2C1CC=C(C)C1(O)C3CC(C)(O3)C21
InChIInChI=1S/C15H18O4/c1-7-4-5-9-8(2)13(16)18-11(9)12-14(3)6-10(19-14)15(7,12)17/h4,9-12,17H,2,5-6H2,1,3H3
InChIKeyLDGHSQJVMCMJNB-UHFFFAOYSA-N
XLogP1.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
CID 162941255
(1S,6S,9R,10S,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-4-one
CID 118701113
(1R,2S,6R,7S,10S,12R,14S)-7,10-dihydroxy-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
CID 100955713
(1S,2S,6R,9R,10S,12R,14S)-10-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-4-one
CID 163016795
(1S,2S,6S,9R,11S,12R,14S)-11-hydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecane-4,10-dione
CID 163874128
(1R,3S,6S,10S,11S,12S,14R)-3,12-dimethyl-7-methylidene-2,9,13-trioxapentacyclo[9.4.0.01,3.06,10.012,14]pentadecan-8-one
CID 10912307
(1S,3S,5R,8E,13S,14R,15R)-14-hydroxy-5,9,13-trimethyl-18-methylidene-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-17-one
CID 23327293
2',6-dimethyl-3-methylidenespiro[4,7a-dihydro-3aH-1-benzofuran-7,1'-cyclopentane]-2-one
CID 162863521
(1R,2S,4S,7E,11S)-4,8-dimethyl-12-methylidene-14-oxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
CID 130312235
4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
CID 14191287
(3aR,4S,5aS,6S,9aS,9bR)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
CID 162879391
(3aS,6aS,9aR,9bS)-6a-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
CID 14589132

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one?
The IUPAC name of 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one (CID 75072242) is 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one.
What is the SMILES notation for 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one?
The canonical SMILES for 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one is C=C1C(=O)OC2C1CC=C(C)C1(O)C3CC(C)(O3)C21.
What is the InChIKey of 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one?
The InChIKey is LDGHSQJVMCMJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-7-4-5-9-8(2)13(16)18-11(9)12-14(3)6-10(19-14)15(7,12)17/h4,9-12,17H,2,5-6H2,1,3H3.
What are the key properties of 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one?
11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one has a molecular weight of 262.31 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-1,10-dimethyl-6-methylidene-4,13-dioxatetracyclo[10.1.1.02,11.03,7]tetradec-9-en-5-one is sourced from PubChem (CID 75072242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).