6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane

C13H22O2 — CID 5372463

IUPAC6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC/C=C/C1CCC(C)(C)C2(C1)OCCO2
InChIInChI=1S/C13H22O2/c1-4-5-11-6-7-12(2,3)13(10-11)14-8-9-15-13/h4-5,11H,6-10H2,1-3H3/b5-4+
InChIKeyNCVVYYNXWSVJDD-SNAWJCMRSA-N
MW210.32 g/mol
LogP3.13
Rot. Bonds1

About 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane

6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 5372463) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane
PubChem CID5372463
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane
SMILESC/C=C/C1CCC(C)(C)C2(C1)OCCO2
InChIInChI=1S/C13H22O2/c1-4-5-11-6-7-12(2,3)13(10-11)14-8-9-15-13/h4-5,11H,6-10H2,1-3H3/b5-4+
InChIKeyNCVVYYNXWSVJDD-SNAWJCMRSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
Spiro[bicyclo[3.2.1]oct-6-ene-2,2'-[1,3]dioxolane], 1,8,8-trimethyl-
CID 376764
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
9-Ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-enyl)ethyl][1,3]dioxolane
CID 560211
Cyclohexane, 1,1-ethylenedioxy-2-(2-methyl-1-propenyl)-
CID 567459
Spiro[bicyclo[2.2.2]oct-5-ene-2,2'-(1',3'-dioxolane)], 4,4',5'-trimethyl-
CID 575298
1,4-Dioxaspiro[4.5]decane, 6-methyl-9-(1-methylethenyl)-
CID 587206

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane (CID 5372463) is 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane is C/C=C/C1CCC(C)(C)C2(C1)OCCO2.
What is the InChIKey of 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is NCVVYYNXWSVJDD-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-5-11-6-7-12(2,3)13(10-11)14-8-9-15-13/h4-5,11H,6-10H2,1-3H3/b5-4+.
What are the key properties of 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane?
6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 210.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-9-[(E)-prop-1-enyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 5372463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).