(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane

C8H14O2 — CID 71391888

IUPAC(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O2/c1-6(2)7-5-9-8(3,4)10-7/h7H,1,5H2,2-4H3/t7-/m1/s1
InChIKeyWACAKSJDGYQSKE-SSDOTTSWSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds1

About (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane

(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 71391888) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane
PubChem CID71391888
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O2/c1-6(2)7-5-9-8(3,4)10-7/h7H,1,5H2,2-4H3/t7-/m1/s1
InChIKeyWACAKSJDGYQSKE-SSDOTTSWSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
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

(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
2-Methyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 14613364
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 130676507
6-Methyl-7-methylidene-5,8-dioxaspiro[3.4]octane
CID 134879626
(4R)-2,2-dimethyl-4-(2-methylidenepent-4-ynoxymethyl)-1,3-dioxolane
CID 135012451
[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-trifluoroboranuide
CID 165982711
1,3-Dioxolane, 4,5-diisopropenyl-2,2-dimethyl-
CID 539045
(4S,5R)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11095259
(4S,5S)-2,2-dimethyl-4-prop-1-en-2-yl-5-prop-2-enyl-1,3-dioxolane
CID 11830070
2,2-Dimethyl-4-isopropenyl-1,3-dioxolane
CID 13415305
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 13916621

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane (CID 71391888) is (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane is C=C(C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is WACAKSJDGYQSKE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)7-5-9-8(3,4)10-7/h7H,1,5H2,2-4H3/t7-/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane?
(4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 71391888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).