2-(1-hydroxyprop-1-enyl)heptanal

C10H18O2 — CID 174492764

IUPAC2-(1-hydroxyprop-1-enyl)heptanal
SMILESCC=C(O)C(C=O)CCCCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9(8-11)10(12)4-2/h4,8-9,12H,3,5-7H2,1-2H3
InChIKeyFXSPGSANFIZUCR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds6

About 2-(1-hydroxyprop-1-enyl)heptanal

2-(1-hydroxyprop-1-enyl)heptanal (PubChem CID 174492764) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(1-hydroxyprop-1-enyl)heptanal.

Molecular Properties

Compound Name2-(1-hydroxyprop-1-enyl)heptanal
PubChem CID174492764
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(1-hydroxyprop-1-enyl)heptanal
SMILESCC=C(O)C(C=O)CCCCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-9(8-11)10(12)4-2/h4,8-9,12H,3,5-7H2,1-2H3
InChIKeyFXSPGSANFIZUCR-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-formylheptanoate
CID 13330717
2-dodecyl-3-oxopentadecanal
CID 91176354
2-nonadecyl-3-oxodocosanal
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2-acetylhexanal
CID 12612516
2-(3-oxobut-1-en-2-yl)undecanal
CID 86086955
(2R)-2-prop-1-en-2-ylhexanal
CID 170850526
2-undecylpropanedial
CID 20505732
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
2-(dihydroxymethyl)heptanal
CID 174908382
2-dodec-7-enyl-3-oxohexadec-4-enal
CID 54574205
2-[(Z)-dodec-7-enyl]-3-oxohexadec-4-enal
CID 173207875
2-methyldodecanal
CID 87784106

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-1-enyl)heptanal?
The IUPAC name of 2-(1-hydroxyprop-1-enyl)heptanal (CID 174492764) is 2-(1-hydroxyprop-1-enyl)heptanal.
What is the SMILES notation for 2-(1-hydroxyprop-1-enyl)heptanal?
The canonical SMILES for 2-(1-hydroxyprop-1-enyl)heptanal is CC=C(O)C(C=O)CCCCC.
What is the InChIKey of 2-(1-hydroxyprop-1-enyl)heptanal?
The InChIKey is FXSPGSANFIZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-9(8-11)10(12)4-2/h4,8-9,12H,3,5-7H2,1-2H3.
What are the key properties of 2-(1-hydroxyprop-1-enyl)heptanal?
2-(1-hydroxyprop-1-enyl)heptanal has a molecular weight of 170.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-1-enyl)heptanal is sourced from PubChem (CID 174492764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).