(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal

C10H16O2 — CID 123615369

IUPAC(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
SMILESC=C(C)C(O)C/C=C(\C)CC=O
InChIInChI=1S/C10H16O2/c1-8(2)10(12)5-4-9(3)6-7-11/h4,7,10,12H,1,5-6H2,2-3H3/b9-4+
InChIKeyKHOIKIRPVKXKRD-RUDMXATFSA-N
MW168.24 g/mol
LogP1.85
Rot. Bonds5

About (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal

(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal (PubChem CID 123615369) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal.

Molecular Properties

Compound Name(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
PubChem CID123615369
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
SMILESC=C(C)C(O)C/C=C(\C)CC=O
InChIInChI=1S/C10H16O2/c1-8(2)10(12)5-4-9(3)6-7-11/h4,7,10,12H,1,5-6H2,2-3H3/b9-4+
InChIKeyKHOIKIRPVKXKRD-RUDMXATFSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
(3R)-2,6-dimethylocta-1,5,7-trien-3-ol
CID 162867192
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
(E)-5-hydroxy-3-methylhex-3-enal
CID 87292200
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 87672910
(3Z,5Z)-3,5-dimethylocta-3,5-dienal
CID 142133897
3-methyl-7-oxooct-3-enal
CID 91303199
propan-2-yl 4-methyl-6-oxohex-3-enoate
CID 174601298
(5Z)-6-methylnona-5,8-dien-3-ol
CID 59545208
4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
CID 175242680
(E)-5-methyl-2-prop-1-en-2-ylhept-4-en-1-ol
CID 122678118
(3E,7Z)-8-fluoro-3,7-dimethylocta-3,7-dienal
CID 24974009

Frequently Asked Questions

What is the IUPAC name of (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal?
The IUPAC name of (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal (CID 123615369) is (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal.
What is the SMILES notation for (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal?
The canonical SMILES for (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal is C=C(C)C(O)C/C=C(\C)CC=O.
What is the InChIKey of (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal?
The InChIKey is KHOIKIRPVKXKRD-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10(12)5-4-9(3)6-7-11/h4,7,10,12H,1,5-6H2,2-3H3/b9-4+.
What are the key properties of (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal?
(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal has a molecular weight of 168.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal is sourced from PubChem (CID 123615369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).