(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol

C15H22O4 — CID 162849930

IUPAC(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol
SMILESCC1(C)CC[C@H](O)[C@]23[C@H](O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43
InChIInChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11+,12+,13+,15+/m0/s1
InChIKeyHLFAYJASJWZZCH-DMWPXEFISA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds

About (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol

(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol (PubChem CID 162849930) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol.

Molecular Properties

Compound Name(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol
PubChem CID162849930
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol
SMILESCC1(C)CC[C@H](O)[C@]23[C@H](O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43
InChIInChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11+,12+,13+,15+/m0/s1
InChIKeyHLFAYJASJWZZCH-DMWPXEFISA-N
XLogP1.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol with MolForge

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Related Compounds

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CID 163113265
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(1R,5aR,6S,7S,9S,9aS,9bS)-7-chloro-6-(3-hydroxy-4-methylpent-4-enyl)-6,9a-dimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1,9-diol
CID 102087856
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CID 23426323

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol?
The IUPAC name of (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol (CID 162849930) is (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol.
What is the SMILES notation for (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol?
The canonical SMILES for (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol is CC1(C)CC[C@H](O)[C@]23[C@H](O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43.
What is the InChIKey of (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol?
The InChIKey is HLFAYJASJWZZCH-DMWPXEFISA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-13,16-17H,4-7H2,1-2H3/t9-,10-,11+,12+,13+,15+/m0/s1.
What are the key properties of (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol?
(1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol has a molecular weight of 266.34 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6S,12R,14R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-2,14-diol is sourced from PubChem (CID 162849930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).