nona-1,7-dien-2-ol

C9H16O — CID 172729481

IUPACnona-1,7-dien-2-ol
SMILESC=C(O)CCCCC=CC
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3-4,10H,2,5-8H2,1H3
InChIKeyHPEKSFWPVIJLRU-UHFFFAOYSA-N
MW140.23 g/mol
LogP3.19
Rot. Bonds5

About nona-1,7-dien-2-ol

nona-1,7-dien-2-ol (PubChem CID 172729481) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is nona-1,7-dien-2-ol.

Molecular Properties

Compound Namenona-1,7-dien-2-ol
PubChem CID172729481
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namenona-1,7-dien-2-ol
SMILESC=C(O)CCCCC=CC
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3-4,10H,2,5-8H2,1H3
InChIKeyHPEKSFWPVIJLRU-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(7E)-2-methylnona-1,7-diene
CID 23197153
(5Z)-hepta-1,5-dien-2-ol
CID 89297619
(10E)-trideca-1,10-dien-2-ol
CID 87688882
icosa-2,10,18-triene
CID 74063823
bis(dodeca-2,10-diene);methane
CID 159815244
hentriaconta-2,10,29-triene
CID 150025785
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
(3E,21E)-tricosa-3,21-dien-4-ol
CID 174283265
(Z)-non-7-enamide
CID 5365368
(Z)-oct-2-ene
CID 5356796
actinium;(Z)-tridec-11-en-1-ol
CID 159826456
octa-1,6-diene-1,1-diol
CID 154302595

Frequently Asked Questions

What is the IUPAC name of nona-1,7-dien-2-ol?
The IUPAC name of nona-1,7-dien-2-ol (CID 172729481) is nona-1,7-dien-2-ol.
What is the SMILES notation for nona-1,7-dien-2-ol?
The canonical SMILES for nona-1,7-dien-2-ol is C=C(O)CCCCC=CC.
What is the InChIKey of nona-1,7-dien-2-ol?
The InChIKey is HPEKSFWPVIJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h3-4,10H,2,5-8H2,1H3.
What are the key properties of nona-1,7-dien-2-ol?
nona-1,7-dien-2-ol has a molecular weight of 140.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,7-dien-2-ol is sourced from PubChem (CID 172729481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).