(Z)-2-propylhept-2-enal

C10H18O — CID 6386353

IUPAC(Z)-2-propylhept-2-enal
SMILESCCCC/C=C(\C=O)CCC
InChIInChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyGADNZGQWPNTMCH-NTMALXAHSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds6

About (Z)-2-propylhept-2-enal

(Z)-2-propylhept-2-enal (PubChem CID 6386353) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (Z)-2-propylhept-2-enal.

Molecular Properties

Compound Name(Z)-2-propylhept-2-enal
PubChem CID6386353
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(Z)-2-propylhept-2-enal
SMILESCCCC/C=C(\C=O)CCC
InChIInChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyGADNZGQWPNTMCH-NTMALXAHSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Citral
CID 638011
(+-)-2,6-Dimethyl-5-heptenal
CID 61016
Orange Oil
CID 62161
Farnesal
CID 68150
Neral
CID 643779
alpha-Sinensal
CID 5281534
beta-SINENSAL
CID 5281535
2-Ethyl-3-propylacrolein
CID 5354264
(E)-2-Methyl-2-pentenal
CID 5319754
(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
CID 5280598
2-Ethylidenehexanal
CID 5463946
2-Methyl-2-pentenal
CID 12177

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propylhept-2-enal?
The IUPAC name of (Z)-2-propylhept-2-enal (CID 6386353) is (Z)-2-propylhept-2-enal.
What is the SMILES notation for (Z)-2-propylhept-2-enal?
The canonical SMILES for (Z)-2-propylhept-2-enal is CCCC/C=C(\C=O)CCC.
What is the InChIKey of (Z)-2-propylhept-2-enal?
The InChIKey is GADNZGQWPNTMCH-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-.
What are the key properties of (Z)-2-propylhept-2-enal?
(Z)-2-propylhept-2-enal has a molecular weight of 154.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propylhept-2-enal is sourced from PubChem (CID 6386353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).