(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane

C11H18O2 — CID 134986577

IUPAC(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
SMILESC=CC[C@@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C11H18O2/c1-2-5-10-6-3-7-11(13-10)8-4-9-12-11/h2,10H,1,3-9H2/t10-,11-/m1/s1
InChIKeyVFLKFBLUQPSZQH-GHMZBOCLSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds2

About (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane

(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane (PubChem CID 134986577) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
PubChem CID134986577
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane
SMILESC=CC[C@@H]1CCC[C@]2(CCCO2)O1
InChIInChI=1S/C11H18O2/c1-2-5-10-6-3-7-11(13-10)8-4-9-12-11/h2,10H,1,3-9H2/t10-,11-/m1/s1
InChIKeyVFLKFBLUQPSZQH-GHMZBOCLSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R,7S)-7-prop-2-enyl-1,6-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-Allyl-1,7-dioxaspiro[5.5]undecane
CID 14214422
1,10-Dioxaspiro[4.5]dec-2-ene
CID 75066734
2-(Methoxymethylidene)-1,10-dioxaspiro[4.5]decane
CID 91410203
(5S,7R)-7-ethenyl-1,6-dioxaspiro[4.5]decane
CID 134968336
(2R,5R)-2-ethenyl-1,10-dioxaspiro[4.5]decane
CID 134968390
2-[3-(Oxiran-2-yl)propyl]-2-pent-4-enyl-1,3-dioxolane
CID 10585348
8-Ethyl-10-prop-2-enyl-1,4,9-trioxaspiro[4.5]decane
CID 57928141
(2S,6S,8R)-2-but-3-enyl-8-butyl-1,7-dioxaspiro[5.5]undecane
CID 59456475
2-Prop-2-enyl-1,10-dioxaspiro[4.5]decane
CID 118105006
2-[3-(2,2-Dimethyl-1,3-dioxolan-4-yl)propyl]-4-methylideneoxane
CID 10657692
2-[3-[(2S)-oxiran-2-yl]propyl]-2-pent-4-enyl-1,3-dioxolane
CID 10775630
2-Methoxy-2-prop-2-enyloxane
CID 10888145

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane?
The IUPAC name of (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane (CID 134986577) is (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane.
What is the SMILES notation for (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane?
The canonical SMILES for (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane is C=CC[C@@H]1CCC[C@]2(CCCO2)O1.
What is the InChIKey of (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane?
The InChIKey is VFLKFBLUQPSZQH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-5-10-6-3-7-11(13-10)8-4-9-12-11/h2,10H,1,3-9H2/t10-,11-/m1/s1.
What are the key properties of (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane?
(5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-prop-2-enyl-1,6-dioxaspiro[4.5]decane is sourced from PubChem (CID 134986577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).