(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol

C13H22O3 — CID 10933192

IUPAC(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
SMILESC=CCC1(CO)CCCCCC12OCCO2
InChIInChI=1S/C13H22O3/c1-2-6-12(11-14)7-4-3-5-8-13(12)15-9-10-16-13/h2,14H,1,3-11H2
InChIKeyXGKKIDSJNFMQME-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.25
Rot. Bonds3

About (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol

(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol (PubChem CID 10933192) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol.

Molecular Properties

Compound Name(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
PubChem CID10933192
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
SMILESC=CCC1(CO)CCCCCC12OCCO2
InChIInChI=1S/C13H22O3/c1-2-6-12(11-14)7-4-3-5-8-13(12)15-9-10-16-13/h2,14H,1,3-11H2
InChIKeyXGKKIDSJNFMQME-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol?
The IUPAC name of (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol (CID 10933192) is (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol.
What is the SMILES notation for (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol?
The canonical SMILES for (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol is C=CCC1(CO)CCCCCC12OCCO2.
What is the InChIKey of (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol?
The InChIKey is XGKKIDSJNFMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-2-6-12(11-14)7-4-3-5-8-13(12)15-9-10-16-13/h2,14H,1,3-11H2.
What are the key properties of (6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol?
(6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol has a molecular weight of 226.32 g/mol, XLogP of 2.25, 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[4.6]undecan-6-yl)methanol is sourced from PubChem (CID 10933192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).