(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde

C11H16O2 — CID 129289111

IUPAC(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde
SMILESC=C[C@@H]1C[C@H](C=O)C[C@H](/C=C\C)O1
InChIInChI=1S/C11H16O2/c1-3-5-11-7-9(8-12)6-10(4-2)13-11/h3-5,8-11H,2,6-7H2,1H3/b5-3-/t9-,10+,11-/m0/s1
InChIKeyRZIFKSJKMAWPNU-QAPHZKFDSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds3

About (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde

(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde (PubChem CID 129289111) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde
PubChem CID129289111
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde
SMILESC=C[C@@H]1C[C@H](C=O)C[C@H](/C=C\C)O1
InChIInChI=1S/C11H16O2/c1-3-5-11-7-9(8-12)6-10(4-2)13-11/h3-5,8-11H,2,6-7H2,1H3/b5-3-/t9-,10+,11-/m0/s1
InChIKeyRZIFKSJKMAWPNU-QAPHZKFDSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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

1-[(1R, 2S)-2-Methoxycyclohex-3-en-1-yl]-propan-1-one
CID 57847649
5-Methoxy-7-methylnon-3-enal
CID 87292181
(1R,2S)-2-methoxycyclohex-3-ene-1-carbaldehyde
CID 96006099
(1S,2S,4S,5R)-2,4-diethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134897836
(1R,2S,6S)-2-methoxy-6-methylcyclohex-3-ene-1-carbaldehyde
CID 134979526
2-[(1R,2R,6R)-2-methoxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpropanal
CID 11817224
2-Methoxycyclohex-3-ene-1-carbaldehyde
CID 14110993
8-Oxabicyclo[3.2.1]oct-6-ene-3-carbaldehyde
CID 18173063
2-[(2R,6R)-2-[(2S)-2,6-dimethylhept-5-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
CID 59026894
2-Ethoxycyclohex-3-ene-1-carbaldehyde
CID 78063313
(E)-5-methoxy-7-methyldec-3-enal
CID 87290960
(E)-5-methoxy-9-methyldec-3-enal
CID 87291163

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde?
The IUPAC name of (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde (CID 129289111) is (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde.
What is the SMILES notation for (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde?
The canonical SMILES for (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde is C=C[C@@H]1C[C@H](C=O)C[C@H](/C=C\C)O1.
What is the InChIKey of (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde?
The InChIKey is RZIFKSJKMAWPNU-QAPHZKFDSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-11-7-9(8-12)6-10(4-2)13-11/h3-5,8-11H,2,6-7H2,1H3/b5-3-/t9-,10+,11-/m0/s1.
What are the key properties of (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde?
(2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R)-2-ethenyl-6-[(Z)-prop-1-enyl]oxane-4-carbaldehyde is sourced from PubChem (CID 129289111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).