(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one

C16H24O5 — CID 102236896

IUPAC(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one
SMILESCC1CCCC[C@H](O)[C@@H]2C[C@@H](O1)C1=C(O2)[C@H](O)CCC1=O
InChIInChI=1S/C16H24O5/c1-9-4-2-3-5-10(17)13-8-14(20-9)15-11(18)6-7-12(19)16(15)21-13/h9-10,12-14,17,19H,2-8H2,1H3/t9?,10-,12+,13-,14+/m0/s1
InChIKeyPIEPQYGMNJGUKR-NCDGTBIOSA-N
MW296.36 g/mol
LogP1.46
Rot. Bonds

About (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one

(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one (PubChem CID 102236896) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one.

Molecular Properties

Compound Name(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one
PubChem CID102236896
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one
SMILESCC1CCCC[C@H](O)[C@@H]2C[C@@H](O1)C1=C(O2)[C@H](O)CCC1=O
InChIInChI=1S/C16H24O5/c1-9-4-2-3-5-10(17)13-8-14(20-9)15-11(18)6-7-12(19)16(15)21-13/h9-10,12-14,17,19H,2-8H2,1H3/t9?,10-,12+,13-,14+/m0/s1
InChIKeyPIEPQYGMNJGUKR-NCDGTBIOSA-N
XLogP1.46
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one?
The IUPAC name of (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one (CID 102236896) is (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one.
What is the SMILES notation for (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one?
The canonical SMILES for (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one is CC1CCCC[C@H](O)[C@@H]2C[C@@H](O1)C1=C(O2)[C@H](O)CCC1=O.
What is the InChIKey of (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one?
The InChIKey is PIEPQYGMNJGUKR-NCDGTBIOSA-N. The full InChI is InChI=1S/C16H24O5/c1-9-4-2-3-5-10(17)13-8-14(20-9)15-11(18)6-7-12(19)16(15)21-13/h9-10,12-14,17,19H,2-8H2,1H3/t9?,10-,12+,13-,14+/m0/s1.
What are the key properties of (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one?
(1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one has a molecular weight of 296.36 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,9S,10S)-6,10-dihydroxy-15-methyl-8,16-dioxatricyclo[7.7.1.02,7]heptadec-2(7)-en-3-one is sourced from PubChem (CID 102236896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).