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

C9H16O — CID 162397566

IUPAC(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane
SMILESC=C(C)[C@@H]1COCC1(C)C
InChIInChI=1S/C9H16O/c1-7(2)8-5-10-6-9(8,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyKPBFOUCPZOZJIJ-QMMMGPOBSA-N
MW140.23 g/mol
LogP2.24
Rot. Bonds1

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

(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane (PubChem CID 162397566) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane
PubChem CID162397566
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane
SMILESC=C(C)[C@@H]1COCC1(C)C
InChIInChI=1S/C9H16O/c1-7(2)8-5-10-6-9(8,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyKPBFOUCPZOZJIJ-QMMMGPOBSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
CID 14106817
3,3-Dimethyl-4-prop-1-en-2-yloxolane
CID 176435358
3-Ethenyl-2,2,4,4-tetramethyloxolane
CID 23405373
3-Tert-butyl-5-methyl-2-methylideneoxolane
CID 58741998
3,4-Ditert-butyl-2,3-dihydrofuran
CID 58778250
3-Prop-1-en-2-yloxolane
CID 70288914
4-(Ethoxymethyl)-4-(methoxymethyl)-2,5-dimethylhex-1-ene
CID 85756855
3-Ethyl-3,4-dimethyl-2-methylideneoxolane
CID 89984787
3-But-1-en-2-yloxolane
CID 90932200
3-(2,2-Dimethylpropyl)-4-methyl-2,3-dihydrofuran
CID 91304644
4-Methyl-2-methylidene-4-propan-2-yloxolane
CID 121353259
4-Ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane?
The IUPAC name of (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane (CID 162397566) is (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane.
What is the SMILES notation for (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane?
The canonical SMILES for (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane is C=C(C)[C@@H]1COCC1(C)C.
What is the InChIKey of (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane?
The InChIKey is KPBFOUCPZOZJIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O/c1-7(2)8-5-10-6-9(8,3)4/h8H,1,5-6H2,2-4H3/t8-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane?
(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane has a molecular weight of 140.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane is sourced from PubChem (CID 162397566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).