2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane

C17H30O2 — CID 67260868

IUPAC2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(C/C=C/CCCCC)COC(C)(C)OC1
InChIInChI=1S/C17H30O2/c1-5-7-8-9-10-11-13-17(12-6-2)14-18-16(3,4)19-15-17/h6,10-11H,2,5,7-9,12-15H2,1,3-4H3/b11-10+
InChIKeyZFPQKEPWAQNMDB-ZHACJKMWSA-N
MW266.42 g/mol
LogP4.86
Rot. Bonds8

About 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane

2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane (PubChem CID 67260868) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane
PubChem CID67260868
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(C/C=C/CCCCC)COC(C)(C)OC1
InChIInChI=1S/C17H30O2/c1-5-7-8-9-10-11-13-17(12-6-2)14-18-16(3,4)19-15-17/h6,10-11H,2,5,7-9,12-15H2,1,3-4H3/b11-10+
InChIKeyZFPQKEPWAQNMDB-ZHACJKMWSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
diethyl 2-[(E)-6-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)hex-4-enyl]-2-[(Z)-hex-2-enyl]propanedioate
CID 177411662
5-hept-2-ynyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 135022231
3-(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-5-yl)propanal
CID 11009255
2,2-dimethyl-5-[(E)-non-2-enyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione
CID 141165841
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
pentadeca-1,5,9-triene
CID 174048710

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane (CID 67260868) is 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane is C=CCC1(C/C=C/CCCCC)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane?
The InChIKey is ZFPQKEPWAQNMDB-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-7-8-9-10-11-13-17(12-6-2)14-18-16(3,4)19-15-17/h6,10-11H,2,5,7-9,12-15H2,1,3-4H3/b11-10+.
What are the key properties of 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane?
2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane has a molecular weight of 266.42 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-oct-2-enyl]-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 67260868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).