deca-1,6-dien-3-ol

C10H18O — CID 56622854

IUPACdeca-1,6-dien-3-ol
SMILESC=CC(O)CCC=CCCC
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h4,6-7,10-11H,2-3,5,8-9H2,1H3
InChIKeyRHTFYWIANWSVTI-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds6

About deca-1,6-dien-3-ol

deca-1,6-dien-3-ol (PubChem CID 56622854) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is deca-1,6-dien-3-ol.

Molecular Properties

Compound Namedeca-1,6-dien-3-ol
PubChem CID56622854
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namedeca-1,6-dien-3-ol
SMILESC=CC(O)CCC=CCCC
InChIInChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h4,6-7,10-11H,2-3,5,8-9H2,1H3
InChIKeyRHTFYWIANWSVTI-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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acetic acid;octa-1,6-dien-3-ol
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(11Z,14Z)-icosa-1,11,14-trien-3-ol
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undec-1-en-3-ol
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(3R)-dec-1-en-3-ol
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heptadec-1-en-3-ol
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(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
CID 15441076
tetrakis(hept-3-enyl)phosphanium
CID 154264399
dodec-8-ene-1,1-diol
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(E)-1-aminonon-5-en-2-ol
CID 101275257
(5E)-nona-1,5-dien-4-ol
CID 10931514
(9E)-trideca-1,9-dien-4,6-diyn-3-ol
CID 10726292

Frequently Asked Questions

What is the IUPAC name of deca-1,6-dien-3-ol?
The IUPAC name of deca-1,6-dien-3-ol (CID 56622854) is deca-1,6-dien-3-ol.
What is the SMILES notation for deca-1,6-dien-3-ol?
The canonical SMILES for deca-1,6-dien-3-ol is C=CC(O)CCC=CCCC.
What is the InChIKey of deca-1,6-dien-3-ol?
The InChIKey is RHTFYWIANWSVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-5-6-7-8-9-10(11)4-2/h4,6-7,10-11H,2-3,5,8-9H2,1H3.
What are the key properties of deca-1,6-dien-3-ol?
deca-1,6-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,6-dien-3-ol is sourced from PubChem (CID 56622854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).