(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione

C19H24O5 — CID 14507409

IUPAC(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
SMILESCC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13
InChIInChI=1S/C19H24O5/c1-9(2)15-11-5-13-16-18(3,12(11)6-14(21)24-15)7-10(20)8-19(16,4)17(22)23-13/h5-6,9-10,13,15-16,20H,7-8H2,1-4H3/t10-,13-,15-,16-,18-,19+/m1/s1
InChIKeyKEXSMNABMQFSDY-DEIJXFBXSA-N
MW332.40 g/mol
LogP2.14
Rot. Bonds1

About (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione

(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione (PubChem CID 14507409) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione.

Molecular Properties

Compound Name(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
PubChem CID14507409
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione
SMILESCC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13
InChIInChI=1S/C19H24O5/c1-9(2)15-11-5-13-16-18(3,12(11)6-14(21)24-15)7-10(20)8-19(16,4)17(22)23-13/h5-6,9-10,13,15-16,20H,7-8H2,1-4H3/t10-,13-,15-,16-,18-,19+/m1/s1
InChIKeyKEXSMNABMQFSDY-DEIJXFBXSA-N
XLogP2.14
TPSA72.83 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione?
The IUPAC name of (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione (CID 14507409) is (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione.
What is the SMILES notation for (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione?
The canonical SMILES for (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione is CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13.
What is the InChIKey of (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione?
The InChIKey is KEXSMNABMQFSDY-DEIJXFBXSA-N. The full InChI is InChI=1S/C19H24O5/c1-9(2)15-11-5-13-16-18(3,12(11)6-14(21)24-15)7-10(20)8-19(16,4)17(22)23-13/h5-6,9-10,13,15-16,20H,7-8H2,1-4H3/t10-,13-,15-,16-,18-,19+/m1/s1.
What are the key properties of (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione?
(1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione has a molecular weight of 332.40 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,9R,12S,14R,16R)-14-hydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7-diene-4,11-dione is sourced from PubChem (CID 14507409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).