4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol

C11H18O3 — CID 10856443

IUPAC4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
SMILESOCCCCC1C=CC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c12-6-2-1-3-10-4-5-11(9-10)13-7-8-14-11/h4-5,10,12H,1-3,6-9H2
InChIKeyBOSQROAARNTSBN-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.47
Rot. Bonds4

About 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol

4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol (PubChem CID 10856443) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
PubChem CID10856443
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol
SMILESOCCCCC1C=CC2(C1)OCCO2
InChIInChI=1S/C11H18O3/c12-6-2-1-3-10-4-5-11(9-10)13-7-8-14-11/h4-5,10,12H,1-3,6-9H2
InChIKeyBOSQROAARNTSBN-UHFFFAOYSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.47
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

(1S,2R)-2-(2-hydroxyethyl)-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-3-en-1-ol
CID 11806057
Spiro[1,2,5,6,7,7a-hexahydroindene-4,2'-1,3-dioxolane]
CID 16102313
(1E,3E)-8,12-dimethyl-1-(2-pentyl-1,3-dioxolan-2-yl)trideca-1,3,11-trien-5-ol
CID 141928445
(E)-5-(1,4-dioxaspiro[4.5]decan-6-yl)pent-2-en-1-ol
CID 10059593
(E)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-en-1-ol
CID 10611824
(Z)-6-(1,4-dioxaspiro[4.5]dec-6-en-6-yl)-3,4-dimethylhex-2-en-1-ol
CID 10683195
(3'aS,6'Z,9'aR)-spiro[1,3-dioxolane-2,5'-2,3,4,8,9,9a-hexahydro-1H-cyclopenta[8]annulene]-3'a-ol
CID 11299058
(3aR,4S,5R,7aS)-5-butyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11356583
8-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 13213600
8-[(Oxolan-2-yl)methyl]-1,4-dioxaspiro[4.5]dec-6-ene
CID 13213605
1-(7-Methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propan-2-ol
CID 14733185
(E)-8-(1,4-dioxaspiro[4.4]nonan-9-yl)oct-6-en-1-ol
CID 23265317

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol?
The IUPAC name of 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol (CID 10856443) is 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol?
The canonical SMILES for 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol is OCCCCC1C=CC2(C1)OCCO2.
What is the InChIKey of 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol?
The InChIKey is BOSQROAARNTSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-6-2-1-3-10-4-5-11(9-10)13-7-8-14-11/h4-5,10,12H,1-3,6-9H2.
What are the key properties of 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol?
4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.4]non-8-en-7-yl)butan-1-ol is sourced from PubChem (CID 10856443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).