3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol

C11H18O3 — CID 10845642

IUPAC3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
SMILESOCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h3,12H,1-2,4-9H2
InChIKeyKNNRBYPMTHBOHE-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds3

About 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol

3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol (PubChem CID 10845642) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
PubChem CID10845642
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol
SMILESOCCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h3,12H,1-2,4-9H2
InChIKeyKNNRBYPMTHBOHE-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
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

8-Tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11313705
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
(2S)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,6-dimethyloct-6-en-1-ol
CID 123276701
(8-Methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)methanol
CID 134906254
(2S)-1-(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)but-3-en-2-ol
CID 10353584
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)pent-1-yn-3-ol
CID 10585134
7-Methyl-1,4-dioxaspiro[4.6]undec-7-en-10-ol
CID 10797572
3-(2-Methyl-1,3-dioxolan-2-yl)cyclohex-2-en-1-ol
CID 10954213
(8-Methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)methanol
CID 14377557
(E)-4-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-4-en-1-ol
CID 23260524
1,4-Dioxaspiro[4.5]dec-7-en-8-ylmethanol
CID 10964938
8-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol (CID 10845642) is 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol is OCCCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol?
The InChIKey is KNNRBYPMTHBOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-7-1-2-10-3-5-11(6-4-10)13-8-9-14-11/h3,12H,1-2,4-9H2.
What are the key properties of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol?
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)propan-1-ol is sourced from PubChem (CID 10845642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).