(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

C11H18O2 — CID 14832117

IUPAC(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1(C)CC=C[C@]2(CCCCO2)O1
InChIInChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyWRNWMALYFRLOEW-NSHDSACASA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds

About (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene

(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (PubChem CID 14832117) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
PubChem CID14832117
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
SMILESCC1(C)CC=C[C@]2(CCCCO2)O1
InChIInChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyWRNWMALYFRLOEW-NSHDSACASA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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'}

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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
10,10-Dimethyl-5,11-dioxaspiro[5.5]undec-7-en-9-ol
CID 495271
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The IUPAC name of (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene (CID 14832117) is (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene.
What is the SMILES notation for (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The canonical SMILES for (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is CC1(C)CC=C[C@]2(CCCCO2)O1.
What is the InChIKey of (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
The InChIKey is WRNWMALYFRLOEW-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-5-8-11(13-10)7-3-4-9-12-11/h5,8H,3-4,6-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene?
(6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-dimethyl-1,7-dioxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 14832117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).