(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene

C14H24O2 — CID 10727868

IUPAC(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
SMILESC1=C/[C@H]2OCCC[C@@H]2OCCCCCCC/1
InChIInChI=1S/C14H24O2/c1-2-4-6-9-13-14(10-8-12-16-13)15-11-7-5-3-1/h6,9,13-14H,1-5,7-8,10-12H2/b9-6+/t13-,14+/m1/s1
InChIKeyQDSJZAMPDUDRJP-VVYAQTJFSA-N
MW224.34 g/mol
LogP3.46
Rot. Bonds

About (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene

(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene (PubChem CID 10727868) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene.

Molecular Properties

Compound Name(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
PubChem CID10727868
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene
SMILESC1=C/[C@H]2OCCC[C@@H]2OCCCCCCC/1
InChIInChI=1S/C14H24O2/c1-2-4-6-9-13-14(10-8-12-16-13)15-11-7-5-3-1/h6,9,13-14H,1-5,7-8,10-12H2/b9-6+/t13-,14+/m1/s1
InChIKeyQDSJZAMPDUDRJP-VVYAQTJFSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene with MolForge

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Related Compounds

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2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosane
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CID 173496111
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CID 19838536
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CID 141197710
(2S,4aR,8aS)-2-ethenyl-2,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 132969000
(2Z,14Z)-17,19-dioxabicyclo[14.3.0]nonadeca-2,14-dien-18-one
CID 23567726
(3aR,12aR)-6,7,8,9,10,12a-hexahydro-3aH-cycloundeca[d][1,3]dioxol-2-one
CID 91561582
(1R,3S,8R,11S,13R,18S,20R)-20-methyl-2,7,12,17-tetraoxatetracyclo[9.9.0.03,8.013,18]icos-9-ene
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Frequently Asked Questions

What is the IUPAC name of (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene?
The IUPAC name of (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene (CID 10727868) is (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene.
What is the SMILES notation for (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene?
The canonical SMILES for (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene is C1=C/[C@H]2OCCC[C@@H]2OCCCCCCC/1.
What is the InChIKey of (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene?
The InChIKey is QDSJZAMPDUDRJP-VVYAQTJFSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-4-6-9-13-14(10-8-12-16-13)15-11-7-5-3-1/h6,9,13-14H,1-5,7-8,10-12H2/b9-6+/t13-,14+/m1/s1.
What are the key properties of (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene?
(1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene has a molecular weight of 224.34 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10E,12R)-2,13-dioxabicyclo[10.4.0]hexadec-10-ene is sourced from PubChem (CID 10727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).