(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane

C10H16O — CID 14106817

IUPAC(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
SMILESC=C[C@@]1(C)COC[C@H]1C(=C)C
InChIInChI=1S/C10H16O/c1-5-10(4)7-11-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1
InChIKeyKPCIWUMOJOIFNN-UWVGGRQHSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

About (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane

(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane (PubChem CID 14106817) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
PubChem CID14106817
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane
SMILESC=C[C@@]1(C)COC[C@H]1C(=C)C
InChIInChI=1S/C10H16O/c1-5-10(4)7-11-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1
InChIKeyKPCIWUMOJOIFNN-UWVGGRQHSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
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

(4S)-3,3-dimethyl-4-prop-1-en-2-yloxolane
CID 162397566
3,3-Dimethyl-4-prop-1-en-2-yloxolane
CID 176435358
4-(Methoxymethyl)-4-propan-2-ylhepta-1,6-diene
CID 23385041
3-Ethenyl-2,2,4,4-tetramethyloxolane
CID 23405373
(3S,4S)-5-ethyl-2,3,4-trimethyl-3-prop-2-enyloxolane
CID 68074358
3-Prop-2-enyl-3-propyloxolane
CID 68879420
3-Ethenyl-2,2,3-trimethyloxolane
CID 69533099
3-Ethenyl-2,2-dimethyloxolane
CID 70126391
4-Methyl-2-methylidene-4-propan-2-yloxolane
CID 121353259
3-But-3-en-2-yloxolane
CID 123728431
(4S)-4-ethenyl-3,3-dimethyloxane
CID 138494717
Ethane;3-prop-2-enyloxolane
CID 144826356

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane?
The IUPAC name of (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane (CID 14106817) is (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane.
What is the SMILES notation for (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane?
The canonical SMILES for (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane is C=C[C@@]1(C)COC[C@H]1C(=C)C.
What is the InChIKey of (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane?
The InChIKey is KPCIWUMOJOIFNN-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(4)7-11-6-9(10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1.
What are the key properties of (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane?
(3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-3-methyl-4-prop-1-en-2-yloxolane is sourced from PubChem (CID 14106817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).