(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol

C12H22O3 — CID 142714403

IUPAC(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol
SMILESCC1(CCCCC/C=C/CO)OCCO1
InChIInChI=1S/C12H22O3/c1-12(14-10-11-15-12)8-6-4-2-3-5-7-9-13/h5,7,13H,2-4,6,8-11H2,1H3/b7-5+
InChIKeyDWQZSPQCXAZNOT-FNORWQNLSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds7

About (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol

(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol (PubChem CID 142714403) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol.

Molecular Properties

Compound Name(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol
PubChem CID142714403
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol
SMILESCC1(CCCCC/C=C/CO)OCCO1
InChIInChI=1S/C12H22O3/c1-12(14-10-11-15-12)8-6-4-2-3-5-7-9-13/h5,7,13H,2-4,6,8-11H2,1H3/b7-5+
InChIKeyDWQZSPQCXAZNOT-FNORWQNLSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5467361
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
CID 11558486
(E)-4-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-2-en-1-ol
CID 14609410
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196
(E,2S)-4-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 71814732
(Z,1R,5R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]heptadec-3-ene-1,5-diol
CID 101750132
(E)-5-[5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5906341
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
(6Z)-1,4-dioxaspiro[4.7]dodec-6-ene
CID 12592638

Frequently Asked Questions

What is the IUPAC name of (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol?
The IUPAC name of (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol (CID 142714403) is (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol.
What is the SMILES notation for (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol?
The canonical SMILES for (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol is CC1(CCCCC/C=C/CO)OCCO1.
What is the InChIKey of (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol?
The InChIKey is DWQZSPQCXAZNOT-FNORWQNLSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(14-10-11-15-12)8-6-4-2-3-5-7-9-13/h5,7,13H,2-4,6,8-11H2,1H3/b7-5+.
What are the key properties of (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol?
(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol is sourced from PubChem (CID 142714403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).