(E)-3-methylideneoct-5-ene-1,7-diol

C9H16O2 — CID 15541689

IUPAC(E)-3-methylideneoct-5-ene-1,7-diol
SMILESC=C(C/C=C/C(C)O)CCO
InChIInChI=1S/C9H16O2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,9-11H,1,4,6-7H2,2H3/b5-3+
InChIKeyDUWVHIILVLXQEP-HWKANZROSA-N
MW156.22 g/mol
LogP1.25
Rot. Bonds5

About (E)-3-methylideneoct-5-ene-1,7-diol

(E)-3-methylideneoct-5-ene-1,7-diol (PubChem CID 15541689) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-3-methylideneoct-5-ene-1,7-diol.

Molecular Properties

Compound Name(E)-3-methylideneoct-5-ene-1,7-diol
PubChem CID15541689
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-3-methylideneoct-5-ene-1,7-diol
SMILESC=C(C/C=C/C(C)O)CCO
InChIInChI=1S/C9H16O2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,9-11H,1,4,6-7H2,2H3/b5-3+
InChIKeyDUWVHIILVLXQEP-HWKANZROSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496
5-aminopent-3-en-2-ol
CID 90709459
(E)-2-methylidenehex-4-en-1-ol
CID 15564150
(E)-dec-7-ene-1,3,9-triol
CID 162415267
(E)-5-(dimethylamino)pent-3-en-2-ol
CID 130122470
1-methyl-4-[(E)-10-methyl-6-methylideneundec-8-en-2-yl]benzene
CID 131752566
(Z,2R)-non-3-en-2-ol
CID 11040800
2-aminoethanol;2-hydroxypropanal
CID 88787093
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
2,6-dimethylocta-1,4,7-triene
CID 71437037
7-methyloct-4-ene-1,6-diol
CID 57100736
undec-3-en-2-ol
CID 174515693

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylideneoct-5-ene-1,7-diol?
The IUPAC name of (E)-3-methylideneoct-5-ene-1,7-diol (CID 15541689) is (E)-3-methylideneoct-5-ene-1,7-diol.
What is the SMILES notation for (E)-3-methylideneoct-5-ene-1,7-diol?
The canonical SMILES for (E)-3-methylideneoct-5-ene-1,7-diol is C=C(C/C=C/C(C)O)CCO.
What is the InChIKey of (E)-3-methylideneoct-5-ene-1,7-diol?
The InChIKey is DUWVHIILVLXQEP-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(6-7-10)4-3-5-9(2)11/h3,5,9-11H,1,4,6-7H2,2H3/b5-3+.
What are the key properties of (E)-3-methylideneoct-5-ene-1,7-diol?
(E)-3-methylideneoct-5-ene-1,7-diol has a molecular weight of 156.22 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylideneoct-5-ene-1,7-diol is sourced from PubChem (CID 15541689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).