2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol

C14H24O3 — CID 22753427

IUPAC2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol
SMILESCC1(C)COC2(CC=C(C(C)(C)O)CC2)OC1
InChIInChI=1S/C14H24O3/c1-12(2)9-16-14(17-10-12)7-5-11(6-8-14)13(3,4)15/h5,15H,6-10H2,1-4H3
InChIKeyBBGXPLFNZKXCBS-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.64
Rot. Bonds1

About 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol

2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol (PubChem CID 22753427) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol
PubChem CID22753427
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol
SMILESCC1(C)COC2(CC=C(C(C)(C)O)CC2)OC1
InChIInChI=1S/C14H24O3/c1-12(2)9-16-14(17-10-12)7-5-11(6-8-14)13(3,4)15/h5,15H,6-10H2,1-4H3
InChIKeyBBGXPLFNZKXCBS-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.64
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 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol?
The IUPAC name of 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol (CID 22753427) is 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol.
What is the SMILES notation for 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol?
The canonical SMILES for 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol is CC1(C)COC2(CC=C(C(C)(C)O)CC2)OC1.
What is the InChIKey of 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol?
The InChIKey is BBGXPLFNZKXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-12(2)9-16-14(17-10-12)7-5-11(6-8-14)13(3,4)15/h5,15H,6-10H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol?
2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol has a molecular weight of 240.34 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)propan-2-ol is sourced from PubChem (CID 22753427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).