9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C10H14O5 — CID 166083256

IUPAC9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESC=CCC1OCOC2C1OC1OCOC12
InChIInChI=1S/C10H14O5/c1-2-3-6-7-8(12-4-11-6)9-10(15-7)14-5-13-9/h2,6-10H,1,3-5H2
InChIKeyVLKYDBJABPZWJT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.40
Rot. Bonds2

About 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 166083256) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID166083256
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESC=CCC1OCOC2C1OC1OCOC12
InChIInChI=1S/C10H14O5/c1-2-3-6-7-8(12-4-11-6)9-10(15-7)14-5-13-9/h2,6-10H,1,3-5H2
InChIKeyVLKYDBJABPZWJT-UHFFFAOYSA-N
XLogP0.40
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-Dideoxy-1,2:3,4-di-O-isopropylidene-alpha-L-galacto-hept-6-enopyranose
CID 89888643
(6R,9S)-8-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134853712
(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-methylidene-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran
CID 134930515
(1R)-1-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]but-3-en-1-ol
CID 134973222
(1R,2R,6R,7R)-7-prop-2-enyl-3,5,8,10-tetraoxatricyclo[5.2.1.02,6]decan-4-one
CID 11127228
(2S,8S,9R)-8-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 58013645
(1R,8S)-8-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 67476436
(1R,8S,9R)-8-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 70451169
(1R,2S,6S,9R)-8-ethenyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 132120328
11-Ethyl-4-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 156280423
[4,11-Bis(prop-2-enyl)-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methanol
CID 156280572
(11-Ethyl-4-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methanol
CID 156286951

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 166083256) is 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is C=CCC1OCOC2C1OC1OCOC12.
What is the InChIKey of 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is VLKYDBJABPZWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-2-3-6-7-8(12-4-11-6)9-10(15-7)14-5-13-9/h2,6-10H,1,3-5H2.
What are the key properties of 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 214.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 166083256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).