(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid

C17H32O3 — CID 161345473

IUPAC(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid
SMILESCC(C)/C=C/CCCC(=O)O.CC(C)/C=C/CCCO
InChIInChI=1S/C9H16O2.C8H16O/c1-8(2)6-4-3-5-7-9(10)11;1-8(2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3,(H,10,11);4,6,8-9H,3,5,7H2,1-2H3/b2*6-4+
InChIKeyVNFQUWCUGSUMPR-AYFXHMPNSA-N
MW284.44 g/mol
LogP4.42
Rot. Bonds9

About (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid

(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid (PubChem CID 161345473) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid.

Molecular Properties

Compound Name(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid
PubChem CID161345473
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid
SMILESCC(C)/C=C/CCCC(=O)O.CC(C)/C=C/CCCO
InChIInChI=1S/C9H16O2.C8H16O/c1-8(2)6-4-3-5-7-9(10)11;1-8(2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3,(H,10,11);4,6,8-9H,3,5,7H2,1-2H3/b2*6-4+
InChIKeyVNFQUWCUGSUMPR-AYFXHMPNSA-N
XLogP4.42
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-methyldodec-9-enoic acid
CID 76621229
(Z)-6-methylhept-4-en-1-ol
CID 13494537
(Z)-6-methylhept-4-enoic acid
CID 55298227
17-methyloctadeca-6,9,12,15-tetraenoic acid
CID 173274279
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
8-hydroxyoct-5-enoic acid
CID 86081855
8-methylnon-5-enoic acid
CID 73188771
15-hydroxypentadec-10-enoic acid
CID 165358734
(Z)-32-hydroxydotriacont-23-enoic acid
CID 13377993
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945

Frequently Asked Questions

What is the IUPAC name of (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid?
The IUPAC name of (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid (CID 161345473) is (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid.
What is the SMILES notation for (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid?
The canonical SMILES for (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid is CC(C)/C=C/CCCC(=O)O.CC(C)/C=C/CCCO.
What is the InChIKey of (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid?
The InChIKey is VNFQUWCUGSUMPR-AYFXHMPNSA-N. The full InChI is InChI=1S/C9H16O2.C8H16O/c1-8(2)6-4-3-5-7-9(10)11;1-8(2)6-4-3-5-7-9/h4,6,8H,3,5,7H2,1-2H3,(H,10,11);4,6,8-9H,3,5,7H2,1-2H3/b2*6-4+.
What are the key properties of (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid?
(E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylhept-4-en-1-ol;(E)-7-methyloct-5-enoic acid is sourced from PubChem (CID 161345473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).