(3E)-deca-3,9-diene-1,5-diol

C10H18O2 — CID 18629776

IUPAC(3E)-deca-3,9-diene-1,5-diol
SMILESC=CCCCC(O)/C=C/CCO
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h2,5,8,10-12H,1,3-4,6-7,9H2/b8-5+
InChIKeyMQTUQRBLQLQAPL-VMPITWQZSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds7

About (3E)-deca-3,9-diene-1,5-diol

(3E)-deca-3,9-diene-1,5-diol (PubChem CID 18629776) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3E)-deca-3,9-diene-1,5-diol.

Molecular Properties

Compound Name(3E)-deca-3,9-diene-1,5-diol
PubChem CID18629776
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3E)-deca-3,9-diene-1,5-diol
SMILESC=CCCCC(O)/C=C/CCO
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h2,5,8,10-12H,1,3-4,6-7,9H2/b8-5+
InChIKeyMQTUQRBLQLQAPL-VMPITWQZSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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octacos-10-ene-1,12-diol
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(E)-octadec-6-ene-1,8-diol
CID 10265918
1-fluorohex-5-en-1-ol
CID 165382533
but-3-en-1-ol;(E)-pent-3-en-1-ol
CID 88803615
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
sodium;but-3-en-1-ol;hydride
CID 174719957
(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
nona-1,8-dien-4-ol
CID 14385456
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
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CID 162916853

Frequently Asked Questions

What is the IUPAC name of (3E)-deca-3,9-diene-1,5-diol?
The IUPAC name of (3E)-deca-3,9-diene-1,5-diol (CID 18629776) is (3E)-deca-3,9-diene-1,5-diol.
What is the SMILES notation for (3E)-deca-3,9-diene-1,5-diol?
The canonical SMILES for (3E)-deca-3,9-diene-1,5-diol is C=CCCCC(O)/C=C/CCO.
What is the InChIKey of (3E)-deca-3,9-diene-1,5-diol?
The InChIKey is MQTUQRBLQLQAPL-VMPITWQZSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h2,5,8,10-12H,1,3-4,6-7,9H2/b8-5+.
What are the key properties of (3E)-deca-3,9-diene-1,5-diol?
(3E)-deca-3,9-diene-1,5-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 (3E)-deca-3,9-diene-1,5-diol is sourced from PubChem (CID 18629776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).