7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol

C14H26O3 — CID 53447262

IUPAC7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol
SMILESOCCCCC=CCOCC=CCCCCO
InChIInChI=1S/C14H26O3/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2
InChIKeySSXBAANBIRJYFJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.44
Rot. Bonds12

About 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol

7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol (PubChem CID 53447262) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol.

Molecular Properties

Compound Name7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol
PubChem CID53447262
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol
SMILESOCCCCC=CCOCC=CCCCCO
InChIInChI=1S/C14H26O3/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2
InChIKeySSXBAANBIRJYFJ-UHFFFAOYSA-N
XLogP2.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-4-(oxolan-2-yl)but-3-en-1-ol
CID 12836084
(E)-dec-5-ene-1,10-diol
CID 12574517
(Z)-dec-5-ene-1,10-diol
CID 12574518
2-(2,7-Octadienyloxy)ethanol
CID 53688073
Dec-5-ene-1,10-diol
CID 71362351
2-[(2E)-octa-2,7-dienoxy]ethanol
CID 12576859
(5E)-1-[(2E)-octa-2,7-dienoxy]undeca-5,10-dien-1-ol
CID 140485286
4-[(Z)-oct-5-enoxy]butan-1-ol
CID 175496457
3-Ethoxynon-4-en-7-ol
CID 129784340
2-Butoxy-3-hepten-6-ol
CID 129784691
(Z)-5-methoxyoct-3-en-1-ol
CID 134886819
(5z,9z)-Tetradeca-5,9-diene-1,14-diol
CID 168011356

Frequently Asked Questions

What is the IUPAC name of 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol?
The IUPAC name of 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol (CID 53447262) is 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol.
What is the SMILES notation for 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol?
The canonical SMILES for 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol is OCCCCC=CCOCC=CCCCCO.
What is the InChIKey of 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol?
The InChIKey is SSXBAANBIRJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2.
What are the key properties of 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol?
7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.44, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-hydroxyhept-2-enoxy)hept-5-en-1-ol is sourced from PubChem (CID 53447262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).