(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol

C19H34O3 — CID 10686429

IUPAC(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol
SMILESCCCCCCCCC(O)/C=C/C1CCCC2(C1)OCCO2
InChIInChI=1S/C19H34O3/c1-2-3-4-5-6-7-10-18(20)12-11-17-9-8-13-19(16-17)21-14-15-22-19/h11-12,17-18,20H,2-10,13-16H2,1H3/b12-11+
InChIKeyCUWBVKOPYKTBPU-VAWYXSNFSA-N
MW310.48 g/mol
LogP4.59
Rot. Bonds9

About (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol

(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol (PubChem CID 10686429) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol
PubChem CID10686429
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol
SMILESCCCCCCCCC(O)/C=C/C1CCCC2(C1)OCCO2
InChIInChI=1S/C19H34O3/c1-2-3-4-5-6-7-10-18(20)12-11-17-9-8-13-19(16-17)21-14-15-22-19/h11-12,17-18,20H,2-10,13-16H2,1H3/b12-11+
InChIKeyCUWBVKOPYKTBPU-VAWYXSNFSA-N
XLogP4.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.59
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'}

Analyze (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-5-methyl-4-[(2-methyl-1,3-dioxolan-2-yl)methyl]cyclohex-2-en-1-ol
CID 163598342
(1'S,3'aS,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-1H-indene]-1'-ol
CID 53243681
(Z,2R,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyltetradec-3-ene-1,5-diol
CID 135048432
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
(3aS,4R,7S,7aR)-7-(cyclohexylmethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10061469
(3aS,4R,5R,7aR)-5-(cyclohexylmethyl)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 10468149
actinium;(1E,3E)-8,12-dimethyl-1-(6-methyl-1,4-dioxaspiro[4.5]decan-6-yl)trideca-1,3,11-trien-5-ol
CID 20719974
(1E,3E,5S,8S)-8,12-dimethyl-1-[(6S)-6-methyl-1,4-dioxaspiro[4.5]decan-6-yl]trideca-1,3,11-trien-5-ol
CID 59870940
(3aS,4R)-7-(cyclohexylmethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 67696348
(3aS,4R,7S)-7-(cyclohexylmethyl)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 70100660
(2S)-1-[(4R,5R)-5-(cyclohexylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 70642750
(5S,8S)-8,12-dimethyl-1-[(6S)-6-methyl-1,4-dioxaspiro[4.5]decan-6-yl]trideca-1,3,11-trien-5-ol
CID 91552422

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol?
The IUPAC name of (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol (CID 10686429) is (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol.
What is the SMILES notation for (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol?
The canonical SMILES for (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol is CCCCCCCCC(O)/C=C/C1CCCC2(C1)OCCO2.
What is the InChIKey of (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol?
The InChIKey is CUWBVKOPYKTBPU-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H34O3/c1-2-3-4-5-6-7-10-18(20)12-11-17-9-8-13-19(16-17)21-14-15-22-19/h11-12,17-18,20H,2-10,13-16H2,1H3/b12-11+.
What are the key properties of (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol?
(E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol has a molecular weight of 310.48 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,4-dioxaspiro[4.5]decan-7-yl)undec-1-en-3-ol is sourced from PubChem (CID 10686429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).