(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol

C15H26O3 — CID 23265317

IUPAC(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol
SMILESOCCCCC/C=C/CC1CCCC12OCCO2
InChIInChI=1S/C15H26O3/c16-11-6-4-2-1-3-5-8-14-9-7-10-15(14)17-12-13-18-15/h3,5,14,16H,1-2,4,6-13H2/b5-3+
InChIKeySIYJAALLPWZNSA-HWKANZROSA-N
MW254.37 g/mol
LogP3.03
Rot. Bonds7

About (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol

(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol (PubChem CID 23265317) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol.

Molecular Properties

Compound Name(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol
PubChem CID23265317
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol
SMILESOCCCCC/C=C/CC1CCCC12OCCO2
InChIInChI=1S/C15H26O3/c16-11-6-4-2-1-3-5-8-14-9-7-10-15(14)17-12-13-18-15/h3,5,14,16H,1-2,4,6-13H2/b5-3+
InChIKeySIYJAALLPWZNSA-HWKANZROSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.03
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

4-(1,4-Dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
CID 10856443
(9-Prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
CID 10899601
2-(2-Cyclopent-2-en-1-ylethyl)-1,3-dioxolane
CID 85793781
(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
CID 101140066
(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
CID 101140067
2-[(8R,9R)-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 10586145
[(1R,3aS,7aR)-spiro[1,3,3a,4,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-1-yl]methanol
CID 10656062
Spiro[bicyclo[4.2.1]non-3-ene-9,2'-[1,3]dioxolane]
CID 58694829
(8S,9R)-8-ethyl-9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonane
CID 59119969
4-(1,4-Dioxaspiro[4.5]decan-8-yl)but-3-en-1-ol
CID 68004095
1-[9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 68141641
2-[9-[(Z)-pent-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]ethanol
CID 86734008

Frequently Asked Questions

What is the IUPAC name of (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol?
The IUPAC name of (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol (CID 23265317) is (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol.
What is the SMILES notation for (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol?
The canonical SMILES for (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol is OCCCCC/C=C/CC1CCCC12OCCO2.
What is the InChIKey of (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol?
The InChIKey is SIYJAALLPWZNSA-HWKANZROSA-N. The full InChI is InChI=1S/C15H26O3/c16-11-6-4-2-1-3-5-8-14-9-7-10-15(14)17-12-13-18-15/h3,5,14,16H,1-2,4,6-13H2/b5-3+.
What are the key properties of (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol?
(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol is sourced from PubChem (CID 23265317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).