1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone

C19H24O4 — CID 102294970

IUPAC1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone
SMILESCC(=O)c1c(O)cc2c3c1OC(C)(C)[C@H]1CCC[C@](C)(CC31)O2
InChIInChI=1S/C19H24O4/c1-10(20)15-13(21)8-14-16-11-9-19(4,22-14)7-5-6-12(11)18(2,3)23-17(15)16/h8,11-12,21H,5-7,9H2,1-4H3/t11?,12-,19+/m0/s1
InChIKeyVKZAXLAJKMDWMZ-YPBSHKTQSA-N
MW316.40 g/mol
LogP4.19
Rot. Bonds1

About 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone

1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone (PubChem CID 102294970) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone
PubChem CID102294970
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone
SMILESCC(=O)c1c(O)cc2c3c1OC(C)(C)[C@H]1CCC[C@](C)(CC31)O2
InChIInChI=1S/C19H24O4/c1-10(20)15-13(21)8-14-16-11-9-19(4,22-14)7-5-6-12(11)18(2,3)23-17(15)16/h8,11-12,21H,5-7,9H2,1-4H3/t11?,12-,19+/m0/s1
InChIKeyVKZAXLAJKMDWMZ-YPBSHKTQSA-N
XLogP4.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone (CID 102294970) is 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone is CC(=O)c1c(O)cc2c3c1OC(C)(C)[C@H]1CCC[C@](C)(CC31)O2.
What is the InChIKey of 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone?
The InChIKey is VKZAXLAJKMDWMZ-YPBSHKTQSA-N. The full InChI is InChI=1S/C19H24O4/c1-10(20)15-13(21)8-14-16-11-9-19(4,22-14)7-5-6-12(11)18(2,3)23-17(15)16/h8,11-12,21H,5-7,9H2,1-4H3/t11?,12-,19+/m0/s1.
What are the key properties of 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone?
1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-10-hydroxy-1,6,6-trimethyl-7,16-dioxatetracyclo[10.3.1.05,14.08,13]hexadeca-8,10,12-trien-9-yl]ethanone is sourced from PubChem (CID 102294970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).