(3S)-3-prop-1-en-2-yloxane

C8H14O — CID 154017208

IUPAC(3S)-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCCOC1
InChIInChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyOJAXLSKQPCWZPP-MRVPVSSYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About (3S)-3-prop-1-en-2-yloxane

(3S)-3-prop-1-en-2-yloxane (PubChem CID 154017208) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3S)-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name(3S)-3-prop-1-en-2-yloxane
PubChem CID154017208
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3S)-3-prop-1-en-2-yloxane
SMILESC=C(C)[C@@H]1CCCOC1
InChIInChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h8H,1,3-6H2,2H3/t8-/m1/s1
InChIKeyOJAXLSKQPCWZPP-MRVPVSSYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
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)-oxane-3-carbothioamide
CID 96581763
methyl 2-(oxan-3-yl)prop-2-enoate
CID 117266894
(3R)-oxane-3-carboxylic acid
CID 42554318
3-(1-isocyanatoethenyl)oxane
CID 117267156
methyl (3R)-oxane-3-carboxylate
CID 86306897
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxane-3-carboxamide
CID 22714381
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107138010
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345

Frequently Asked Questions

What is the IUPAC name of (3S)-3-prop-1-en-2-yloxane?
The IUPAC name of (3S)-3-prop-1-en-2-yloxane (CID 154017208) is (3S)-3-prop-1-en-2-yloxane.
What is the SMILES notation for (3S)-3-prop-1-en-2-yloxane?
The canonical SMILES for (3S)-3-prop-1-en-2-yloxane is C=C(C)[C@@H]1CCCOC1.
What is the InChIKey of (3S)-3-prop-1-en-2-yloxane?
The InChIKey is OJAXLSKQPCWZPP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)8-4-3-5-9-6-8/h8H,1,3-6H2,2H3/t8-/m1/s1.
What are the key properties of (3S)-3-prop-1-en-2-yloxane?
(3S)-3-prop-1-en-2-yloxane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-1-en-2-yloxane is sourced from PubChem (CID 154017208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).