cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde

C10H14O — CID 11804942

IUPACcis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde
SMILESCC/C=C\C=C\[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-9-7-10(9)8-11/h3-6,8-10H,2,7H2,1H3/b4-3-,6-5+/t9-,10-/m1/s1
InChIKeyGVUBFZQUXOQYAR-HCXXOREESA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds4

About cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde

cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde (PubChem CID 11804942) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde
PubChem CID11804942
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namecis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde
SMILESCC/C=C\C=C\[C@@H]1C[C@@H]1C=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-9-7-10(9)8-11/h3-6,8-10H,2,7H2,1H3/b4-3-,6-5+/t9-,10-/m1/s1
InChIKeyGVUBFZQUXOQYAR-HCXXOREESA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde (CID 11804942) is cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde is CC/C=C\C=C\[C@@H]1C[C@@H]1C=O.
What is the InChIKey of cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde?
The InChIKey is GVUBFZQUXOQYAR-HCXXOREESA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-5-6-9-7-10(9)8-11/h3-6,8-10H,2,7H2,1H3/b4-3-,6-5+/t9-,10-/m1/s1.
What are the key properties of cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde?
cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[(1E,3Z)-hexa-1,3-dienyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 11804942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).