(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde

C10H14O2 — CID 11665468

IUPAC(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde
SMILESC=CC[C@H]1CC(=C)C[C@@H](C=O)O1
InChIInChI=1S/C10H14O2/c1-3-4-9-5-8(2)6-10(7-11)12-9/h3,7,9-10H,1-2,4-6H2/t9-,10-/m0/s1
InChIKeySFVYBSFZWIJZMB-UWVGGRQHSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds3

About (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde

(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde (PubChem CID 11665468) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde
PubChem CID11665468
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde
SMILESC=CC[C@H]1CC(=C)C[C@@H](C=O)O1
InChIInChI=1S/C10H14O2/c1-3-4-9-5-8(2)6-10(7-11)12-9/h3,7,9-10H,1-2,4-6H2/t9-,10-/m0/s1
InChIKeySFVYBSFZWIJZMB-UWVGGRQHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde?
The IUPAC name of (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde (CID 11665468) is (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde.
What is the SMILES notation for (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde?
The canonical SMILES for (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde is C=CC[C@H]1CC(=C)C[C@@H](C=O)O1.
What is the InChIKey of (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde?
The InChIKey is SFVYBSFZWIJZMB-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-9-5-8(2)6-10(7-11)12-9/h3,7,9-10H,1-2,4-6H2/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde?
(2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde 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 (2S,6S)-4-methylidene-6-prop-2-enyloxane-2-carbaldehyde is sourced from PubChem (CID 11665468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).