(E)-5-hydroxy-3-methylundec-2-enal

C12H22O2 — CID 14934691

IUPAC(E)-5-hydroxy-3-methylundec-2-enal
SMILESCCCCCCC(O)C/C(C)=C/C=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-12(14)10-11(2)8-9-13/h8-9,12,14H,3-7,10H2,1-2H3/b11-8+
InChIKeyBOVQULJAXVXAHZ-DHZHZOJOSA-N
MW198.31 g/mol
LogP2.85
Rot. Bonds8

About (E)-5-hydroxy-3-methylundec-2-enal

(E)-5-hydroxy-3-methylundec-2-enal (PubChem CID 14934691) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-5-hydroxy-3-methylundec-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxy-3-methylundec-2-enal
PubChem CID14934691
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-5-hydroxy-3-methylundec-2-enal
SMILESCCCCCCC(O)C/C(C)=C/C=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-12(14)10-11(2)8-9-13/h8-9,12,14H,3-7,10H2,1-2H3/b11-8+
InChIKeyBOVQULJAXVXAHZ-DHZHZOJOSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-Hydroxy-2-decenal
CID 6439956
4-Hydroxy-2-undecenal
CID 93127
4-Hydroxy-dec-2-en-1-al
CID 147309
Undecenal, 4-hydroxy-
CID 6440485
2-Methylundec-2-en-5-ol
CID 14940584
4-Hydroxy-2-tetradecenal
CID 6366682
4-Hydroxypentadecenal
CID 6366683
4-Hydroxydodec-2-enal
CID 3015462
(E)-5-hydroxy-2-methylundec-2-enal
CID 11769481
(E)-5-hydroxydec-2-enal
CID 14934688
5-Hydroxynon-2-enal
CID 53883814
trans-5-Hydroxy-2-nonenal
CID 87252124

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-3-methylundec-2-enal?
The IUPAC name of (E)-5-hydroxy-3-methylundec-2-enal (CID 14934691) is (E)-5-hydroxy-3-methylundec-2-enal.
What is the SMILES notation for (E)-5-hydroxy-3-methylundec-2-enal?
The canonical SMILES for (E)-5-hydroxy-3-methylundec-2-enal is CCCCCCC(O)C/C(C)=C/C=O.
What is the InChIKey of (E)-5-hydroxy-3-methylundec-2-enal?
The InChIKey is BOVQULJAXVXAHZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-12(14)10-11(2)8-9-13/h8-9,12,14H,3-7,10H2,1-2H3/b11-8+.
What are the key properties of (E)-5-hydroxy-3-methylundec-2-enal?
(E)-5-hydroxy-3-methylundec-2-enal has a molecular weight of 198.31 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-3-methylundec-2-enal is sourced from PubChem (CID 14934691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).