8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

C19H24O5 — CID 162890395

IUPAC8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
SMILESCC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCCC2(C)C13
InChIInChI=1S/C19H24O5/c1-9(2)14-12-10(8-11(20)23-14)18(3)6-5-7-19(4)16(18)15(13(12)21)24-17(19)22/h8-9,13,15-16,21H,5-7H2,1-4H3
InChIKeySTSHDWQMENTAMD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.80
Rot. Bonds1

About 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione

8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione (PubChem CID 162890395) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione.

Molecular Properties

Compound Name8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
PubChem CID162890395
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
SMILESCC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCCC2(C)C13
InChIInChI=1S/C19H24O5/c1-9(2)14-12-10(8-11(20)23-14)18(3)6-5-7-19(4)16(18)15(13(12)21)24-17(19)22/h8-9,13,15-16,21H,5-7H2,1-4H3
InChIKeySTSHDWQMENTAMD-UHFFFAOYSA-N
XLogP2.80
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R,5S,6S,9R,10R,17S)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
CID 6713066
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8,13,14-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
CID 11429458
[(1S,8R,9S,12S,15R,16R)-15-hydroxy-1,12-dimethyl-4,11-dioxo-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-dien-8-yl] butanoate
CID 102194132
8,14,15-trihydroxy-1-methyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
CID 145196040
(6aS,10aS)-7,7,10a-trimethyl-4-propan-2-yl-6a,8,9,10-tetrahydrobenzo[f]isochromen-2-one
CID 14219316
(2R,4S,10S,14S)-5-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
CID 21148114
(1S,10S)-5-hydroxy-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione
CID 59954398
(4bR,8aS,9R)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-ol
CID 171669718
(4aS,10aS)-6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 11771477
10-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CID 162821266
(1S,2S,3R,5S,8R,9R,10R,13R,17S)-3,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
CID 163023842
(1S,2S,5S,8S,9S,10R,13R,17S)-9-hydroxy-1,5,13-trimethyl-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-6,12-dione
CID 23252142

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The IUPAC name of 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione (CID 162890395) is 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione.
What is the SMILES notation for 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The canonical SMILES for 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione is CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)CCCC2(C)C13.
What is the InChIKey of 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
The InChIKey is STSHDWQMENTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-9(2)14-12-10(8-11(20)23-14)18(3)6-5-7-19(4)16(18)15(13(12)21)24-17(19)22/h8-9,13,15-16,21H,5-7H2,1-4H3.
What are the key properties of 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione?
8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione has a molecular weight of 332.40 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione is sourced from PubChem (CID 162890395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).