4-hydroxy-2-methylideneheptanal

C8H14O2 — CID 12014410

IUPAC4-hydroxy-2-methylideneheptanal
SMILESC=C(C=O)CC(O)CCC
InChIInChI=1S/C8H14O2/c1-3-4-8(10)5-7(2)6-9/h6,8,10H,2-5H2,1H3
InChIKeyNQAVWKZUDGVDHG-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About 4-hydroxy-2-methylideneheptanal

4-hydroxy-2-methylideneheptanal (PubChem CID 12014410) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-hydroxy-2-methylideneheptanal.

Molecular Properties

Compound Name4-hydroxy-2-methylideneheptanal
PubChem CID12014410
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-hydroxy-2-methylideneheptanal
SMILESC=C(C=O)CC(O)CCC
InChIInChI=1S/C8H14O2/c1-3-4-8(10)5-7(2)6-9/h6,8,10H,2-5H2,1H3
InChIKeyNQAVWKZUDGVDHG-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-hydroxy-3-methyloct-2-enal
CID 87292146
ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
CID 143267708
3-hydroxyhexanoic acid;methane
CID 175209406
6-hydroxynonan-4-one
CID 22287595
5-hydroxyoctanal
CID 54248840
hexan-3-ol
CID 12178
propyl 3-hydroxyhexanoate
CID 14915819
N-(3-hydroxyhexyl)formamide
CID 54084231
(E,5R)-3-methyloct-2-ene-1,5-diol
CID 163319747
hex-1-ene-2,3-diol
CID 87891998
(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
CID 143267515
(4R,8R)-undecane-4,8-diol
CID 101372142

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylideneheptanal?
The IUPAC name of 4-hydroxy-2-methylideneheptanal (CID 12014410) is 4-hydroxy-2-methylideneheptanal.
What is the SMILES notation for 4-hydroxy-2-methylideneheptanal?
The canonical SMILES for 4-hydroxy-2-methylideneheptanal is C=C(C=O)CC(O)CCC.
What is the InChIKey of 4-hydroxy-2-methylideneheptanal?
The InChIKey is NQAVWKZUDGVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-8(10)5-7(2)6-9/h6,8,10H,2-5H2,1H3.
What are the key properties of 4-hydroxy-2-methylideneheptanal?
4-hydroxy-2-methylideneheptanal has a molecular weight of 142.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylideneheptanal is sourced from PubChem (CID 12014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).