(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane

C12H20O2 — CID 170034689

IUPAC(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane
SMILESC=C(C)C1C[C@]2(CCCO2)OC1(C)C
InChIInChI=1S/C12H20O2/c1-9(2)10-8-12(6-5-7-13-12)14-11(10,3)4/h10H,1,5-8H2,2-4H3/t10?,12-/m0/s1
InChIKeyMVCWFVCGGAOYII-KFJBMODSSA-N
MW196.29 g/mol
LogP2.88
Rot. Bonds1

About (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane

(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane (PubChem CID 170034689) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane
PubChem CID170034689
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane
SMILESC=C(C)C1C[C@]2(CCCO2)OC1(C)C
InChIInChI=1S/C12H20O2/c1-9(2)10-8-12(6-5-7-13-12)14-11(10,3)4/h10H,1,5-8H2,2-4H3/t10?,12-/m0/s1
InChIKeyMVCWFVCGGAOYII-KFJBMODSSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.88
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

1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
(2S,3S,5S)-2-propan-2-yl-1,6-dioxaspiro[4.4]nonan-3-ol
CID 130917673
3,3-dimethyl-4-prop-1-en-2-ylcyclohexan-1-ol
CID 58534193
1-methyl-2-prop-1-en-2-ylcyclopentane-1-sulfonic acid
CID 174492180
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
2-N,2-N,2-N',2-N'-tetramethyloxolane-2,2-diamine
CID 174918997
(5R,9R)-9-(hydroxymethyl)-1,6-dioxaspiro[4.5]decan-9-ol
CID 15162522
4,9-dioxaspiro[2.6]nonane
CID 68651979
2-(1,4-dioxaspiro[4.5]decan-7-yl)-N-methylethanamine
CID 11287105

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane (CID 170034689) is (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane is C=C(C)C1C[C@]2(CCCO2)OC1(C)C.
What is the InChIKey of (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is MVCWFVCGGAOYII-KFJBMODSSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)10-8-12(6-5-7-13-12)14-11(10,3)4/h10H,1,5-8H2,2-4H3/t10?,12-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane?
(5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 196.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-3-prop-1-en-2-yl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 170034689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).