(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol

C12H20O3 — CID 10921811

IUPAC(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
SMILESC=CCC1(CO)CCCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,13H,1,3-10H2
InChIKeyOOMAQEMJDSSSHH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.86
Rot. Bonds3

About (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol

(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol (PubChem CID 10921811) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol.

Molecular Properties

Compound Name(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
PubChem CID10921811
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol
SMILESC=CCC1(CO)CCCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,13H,1,3-10H2
InChIKeyOOMAQEMJDSSSHH-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.86
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
8,8-Diallyl-1,4-dioxaspiro[4.5]decane
CID 567107
(6S,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 10560495
7-But-3-enyl-7-methyl-1,4-dioxaspiro[4.5]decane
CID 10632273
(9-Prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
CID 10899601
(6-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
CID 10933192
(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
CID 10999996
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]prop-2-en-1-ol
CID 11107408
(6R,7S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 11413203
(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
CID 11791680
(6S,7S)-1,4-dioxadispiro[4.0.56.55]hexadec-9-en-7-ol
CID 11806696

Frequently Asked Questions

What is the IUPAC name of (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol?
The IUPAC name of (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol (CID 10921811) is (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol.
What is the SMILES notation for (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol?
The canonical SMILES for (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol is C=CCC1(CO)CCCCC12OCCO2.
What is the InChIKey of (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol?
The InChIKey is OOMAQEMJDSSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-5-11(10-13)6-3-4-7-12(11)14-8-9-15-12/h2,13H,1,3-10H2.
What are the key properties of (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol?
(6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol has a molecular weight of 212.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl)methanol is sourced from PubChem (CID 10921811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).