(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane

C9H16O2 — CID 89090378

IUPAC(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
SMILESCC(C)=C[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7(2)5-8-6-10-9(3,4)11-8/h5,8H,6H2,1-4H3/t8-/m0/s1
InChIKeyPLMJTIFFIAUKJB-QMMMGPOBSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds1

About (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane

(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane (PubChem CID 89090378) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
PubChem CID89090378
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
SMILESCC(C)=C[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H16O2/c1-7(2)5-8-6-10-9(3,4)11-8/h5,8H,6H2,1-4H3/t8-/m0/s1
InChIKeyPLMJTIFFIAUKJB-QMMMGPOBSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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

(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylidene]butanoic acid
CID 77212160
4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane
CID 163566009
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
CID 131235695
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane (CID 89090378) is (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane is CC(C)=C[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane?
The InChIKey is PLMJTIFFIAUKJB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)5-8-6-10-9(3,4)11-8/h5,8H,6H2,1-4H3/t8-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane?
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 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-(2-methylprop-1-enyl)-1,3-dioxolane is sourced from PubChem (CID 89090378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).