deca-1,9-diene-4,7-diol

C10H18O2 — CID 10631000

IUPACdeca-1,9-diene-4,7-diol
SMILESC=CCC(O)CCC(O)CC=C
InChIInChI=1S/C10H18O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyGVCRSFJGFBHCIK-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds7

About deca-1,9-diene-4,7-diol

deca-1,9-diene-4,7-diol (PubChem CID 10631000) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is deca-1,9-diene-4,7-diol.

Molecular Properties

Compound Namedeca-1,9-diene-4,7-diol
PubChem CID10631000
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedeca-1,9-diene-4,7-diol
SMILESC=CCC(O)CCC(O)CC=C
InChIInChI=1S/C10H18O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3-4,9-12H,1-2,5-8H2
InChIKeyGVCRSFJGFBHCIK-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
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

9-Decen-1-ol
CID 25612
10-Undecen-1-ol
CID 8185
7-Octen-2-ol
CID 542172
1-Nonen-4-ol
CID 141975
1-Octen-4-ol
CID 142471
Tetradecenol
CID 120110
Non-8-en-1-ol
CID 11094728
11-Dodecen-1-ol
CID 520725
9-Decene-1,2-diol
CID 3020997
7-Octene-1,2-diol
CID 565266
11-Dodecen-2-ol
CID 10702653
1-Dodecen-4-ol
CID 11745312

Frequently Asked Questions

What is the IUPAC name of deca-1,9-diene-4,7-diol?
The IUPAC name of deca-1,9-diene-4,7-diol (CID 10631000) is deca-1,9-diene-4,7-diol.
What is the SMILES notation for deca-1,9-diene-4,7-diol?
The canonical SMILES for deca-1,9-diene-4,7-diol is C=CCC(O)CCC(O)CC=C.
What is the InChIKey of deca-1,9-diene-4,7-diol?
The InChIKey is GVCRSFJGFBHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3-4,9-12H,1-2,5-8H2.
What are the key properties of deca-1,9-diene-4,7-diol?
deca-1,9-diene-4,7-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,9-diene-4,7-diol is sourced from PubChem (CID 10631000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).