octa-1,6-diene-1,1-diol

C8H14O2 — CID 154302595

IUPACocta-1,6-diene-1,1-diol
SMILESCC=CCCCC=C(O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3,7,9-10H,4-6H2,1H3
InChIKeyUOMIONYZKBELAA-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.69
Rot. Bonds4

About octa-1,6-diene-1,1-diol

octa-1,6-diene-1,1-diol (PubChem CID 154302595) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is octa-1,6-diene-1,1-diol.

Molecular Properties

Compound Nameocta-1,6-diene-1,1-diol
PubChem CID154302595
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameocta-1,6-diene-1,1-diol
SMILESCC=CCCCC=C(O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3,7,9-10H,4-6H2,1H3
InChIKeyUOMIONYZKBELAA-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

nona-1,7-dien-2-ol
CID 172729481
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
(Z)-hept-5-enal
CID 12625719
(2E,7E)-dodeca-2,7-diene
CID 173295735
hept-2-ene;methanol
CID 135236025
(2Z,7Z)-deca-2,7-diene
CID 6429619
(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265
sodium;hept-5-enoic acid;hydride
CID 174384913
undec-1-ene-1,1-diol
CID 87556705
(E)-hept-2-ene;tris(propan-2-ol);titanium
CID 154676184

Frequently Asked Questions

What is the IUPAC name of octa-1,6-diene-1,1-diol?
The IUPAC name of octa-1,6-diene-1,1-diol (CID 154302595) is octa-1,6-diene-1,1-diol.
What is the SMILES notation for octa-1,6-diene-1,1-diol?
The canonical SMILES for octa-1,6-diene-1,1-diol is CC=CCCCC=C(O)O.
What is the InChIKey of octa-1,6-diene-1,1-diol?
The InChIKey is UOMIONYZKBELAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3,7,9-10H,4-6H2,1H3.
What are the key properties of octa-1,6-diene-1,1-diol?
octa-1,6-diene-1,1-diol has a molecular weight of 142.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,6-diene-1,1-diol is sourced from PubChem (CID 154302595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).