2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde

C10H14O2 — CID 130765397

IUPAC2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde
SMILESC=C[C@@H]1CC(=C)C[C@H](CC=O)O1
InChIInChI=1S/C10H14O2/c1-3-9-6-8(2)7-10(12-9)4-5-11/h3,5,9-10H,1-2,4,6-7H2/t9-,10+/m1/s1
InChIKeyVZCMUBHVYHSMNW-ZJUUUORDSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds3

About 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde

2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde (PubChem CID 130765397) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde
PubChem CID130765397
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde
SMILESC=C[C@@H]1CC(=C)C[C@H](CC=O)O1
InChIInChI=1S/C10H14O2/c1-3-9-6-8(2)7-10(12-9)4-5-11/h3,5,9-10H,1-2,4,6-7H2/t9-,10+/m1/s1
InChIKeyVZCMUBHVYHSMNW-ZJUUUORDSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylideneoxan-2-yl)acetaldehyde
CID 130026303
methyl 2-[(2S,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetate
CID 142311743
2-(6-Pentyloxan-2-yl)prop-2-enal
CID 142330840
methyl 2-[(2S)-6-ethenyl-4-methylideneoxan-2-yl]acetate
CID 142548530
(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde
CID 11665468
2-(Oxan-2-yl)prop-2-enal
CID 14691614
(2S,6S)-2-ethenyl-6-hexyloxan-4-one
CID 101354253
(2R,6R)-2-ethenyl-6-hexyloxan-4-one
CID 101868757
3-(Oxan-2-yl)but-3-enal
CID 117268568

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde (CID 130765397) is 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde is C=C[C@@H]1CC(=C)C[C@H](CC=O)O1.
What is the InChIKey of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde?
The InChIKey is VZCMUBHVYHSMNW-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-9-6-8(2)7-10(12-9)4-5-11/h3,5,9-10H,1-2,4,6-7H2/t9-,10+/m1/s1.
What are the key properties of 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde?
2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde is sourced from PubChem (CID 130765397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).