(E)-7-hydroxy-3,7-dimethyloct-2-enal

C10H18O2 — CID 13023839

IUPAC(E)-7-hydroxy-3,7-dimethyloct-2-enal
SMILESC/C(=C\C=O)CCCC(C)(C)O
InChIInChI=1S/C10H18O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,8,12H,4-5,7H2,1-3H3/b9-6+
InChIKeyHFFCMXBSDHGUPP-RMKNXTFCSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds5

About (E)-7-hydroxy-3,7-dimethyloct-2-enal

(E)-7-hydroxy-3,7-dimethyloct-2-enal (PubChem CID 13023839) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-7-hydroxy-3,7-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-7-hydroxy-3,7-dimethyloct-2-enal
PubChem CID13023839
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-7-hydroxy-3,7-dimethyloct-2-enal
SMILESC/C(=C\C=O)CCCC(C)(C)O
InChIInChI=1S/C10H18O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,8,12H,4-5,7H2,1-3H3/b9-6+
InChIKeyHFFCMXBSDHGUPP-RMKNXTFCSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
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'}

Analyze (E)-7-hydroxy-3,7-dimethyloct-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-7-methoxy-3,7-dimethyloct-2-enal
CID 14038266
(E)-7-hydroxy-3,7-dimethyloct-2-enoic acid
CID 15726749
(E)-5-hydroxy-3,5-dimethylhex-2-enal
CID 87291683
3-methyloct-2-enal
CID 54333143
(Z)-10-hydroxy-6,10-dimethylundec-5-en-2-one
CID 14537577
2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-ol
CID 73229461
7-hydroxy-3,7-dimethyloct-2-enenitrile
CID 88756836
(2Z,6E)-3,6-dimethylocta-2,6-dienal
CID 124647728
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
3,8-dimethylnon-2-enal
CID 91613839

Frequently Asked Questions

What is the IUPAC name of (E)-7-hydroxy-3,7-dimethyloct-2-enal?
The IUPAC name of (E)-7-hydroxy-3,7-dimethyloct-2-enal (CID 13023839) is (E)-7-hydroxy-3,7-dimethyloct-2-enal.
What is the SMILES notation for (E)-7-hydroxy-3,7-dimethyloct-2-enal?
The canonical SMILES for (E)-7-hydroxy-3,7-dimethyloct-2-enal is C/C(=C\C=O)CCCC(C)(C)O.
What is the InChIKey of (E)-7-hydroxy-3,7-dimethyloct-2-enal?
The InChIKey is HFFCMXBSDHGUPP-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(6-8-11)5-4-7-10(2,3)12/h6,8,12H,4-5,7H2,1-3H3/b9-6+.
What are the key properties of (E)-7-hydroxy-3,7-dimethyloct-2-enal?
(E)-7-hydroxy-3,7-dimethyloct-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-hydroxy-3,7-dimethyloct-2-enal is sourced from PubChem (CID 13023839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).