(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol

C13H22O3 — CID 10059593

IUPAC(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol
SMILESOC/C=C/CCC1CCCCC12OCCO2
InChIInChI=1S/C13H22O3/c14-9-5-1-2-6-12-7-3-4-8-13(12)15-10-11-16-13/h1,5,12,14H,2-4,6-11H2/b5-1+
InChIKeyXXCYQMLDACBFFU-ORCRQEGFSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds4

About (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol

(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol (PubChem CID 10059593) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol
PubChem CID10059593
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol
SMILESOC/C=C/CCC1CCCCC12OCCO2
InChIInChI=1S/C13H22O3/c14-9-5-1-2-6-12-7-3-4-8-13(12)15-10-11-16-13/h1,5,12,14H,2-4,6-11H2/b5-1+
InChIKeyXXCYQMLDACBFFU-ORCRQEGFSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]decane
CID 265136
2-Fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
CID 163598342
(2Z)-2-[(6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 11107412
(2Z)-2-[6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylcyclohex-3-en-1-ylidene]ethanol
CID 135042599
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
CID 10856443
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
4-(1,4-Dioxaspiro[4.5]decan-8-yl)but-3-en-1-ol
CID 68004095
6-But-3-enyl-1,4-dioxaspiro[4.5]decane
CID 121010201
6-Cyclohex-3-en-1-yl-1,4-dioxaspiro[4.5]decane
CID 123865687
spiro[1,3-dioxolane-2,7'-3,4,4a,5,6,8-hexahydro-2H-naphthalene]-2'-ol
CID 134582886
(E)-8-(2-methyl-1,3-dioxolan-2-yl)oct-2-en-1-ol
CID 142714403

Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol?
The IUPAC name of (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol (CID 10059593) is (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol.
What is the SMILES notation for (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol?
The canonical SMILES for (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol is OC/C=C/CCC1CCCCC12OCCO2.
What is the InChIKey of (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol?
The InChIKey is XXCYQMLDACBFFU-ORCRQEGFSA-N. The full InChI is InChI=1S/C13H22O3/c14-9-5-1-2-6-12-7-3-4-8-13(12)15-10-11-16-13/h1,5,12,14H,2-4,6-11H2/b5-1+.
What are the key properties of (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol?
(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol is sourced from PubChem (CID 10059593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).