2-oct-1-en-3-yloxyethanol

C10H20O2 — CID 87582686

IUPAC2-oct-1-en-3-yloxyethanol
SMILESC=CC(CCCCC)OCCO
InChIInChI=1S/C10H20O2/c1-3-5-6-7-10(4-2)12-9-8-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyLMCFKPNVINAQOB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds8

About 2-oct-1-en-3-yloxyethanol

2-oct-1-en-3-yloxyethanol (PubChem CID 87582686) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-oct-1-en-3-yloxyethanol.

Molecular Properties

Compound Name2-oct-1-en-3-yloxyethanol
PubChem CID87582686
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-oct-1-en-3-yloxyethanol
SMILESC=CC(CCCCC)OCCO
InChIInChI=1S/C10H20O2/c1-3-5-6-7-10(4-2)12-9-8-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyLMCFKPNVINAQOB-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-oct-1-en-3-yloxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Prop-2-enoxydodecan-2-ol
CID 13709436
3-Prop-2-enoxyheptan-2-ol
CID 87185897
2-Oct-1-en-4-yloxyethanol
CID 88441242
6-Ethoxyoct-7-en-3-ol
CID 170282391
(6-Vinyl-tetrahydro-pyran-2-yl)-methanol
CID 14142036
(7-Vinyl-2-oxepanyl)methanol
CID 14142040
[(2S,6R)-6-ethenyloxan-2-yl]methanol
CID 130928084
(2S)-2-methoxyhept-6-en-1-ol
CID 130976760
3-Propan-2-yloxyoct-1-en-4-ol
CID 134906010
(3S,4S)-3-ethoxytridec-1-en-4-ol
CID 134931654
4-Propan-2-yloxyhex-5-en-3-ol
CID 134978903
(3S,4R)-3-ethoxytridec-1-en-4-ol
CID 134992704

Frequently Asked Questions

What is the IUPAC name of 2-oct-1-en-3-yloxyethanol?
The IUPAC name of 2-oct-1-en-3-yloxyethanol (CID 87582686) is 2-oct-1-en-3-yloxyethanol.
What is the SMILES notation for 2-oct-1-en-3-yloxyethanol?
The canonical SMILES for 2-oct-1-en-3-yloxyethanol is C=CC(CCCCC)OCCO.
What is the InChIKey of 2-oct-1-en-3-yloxyethanol?
The InChIKey is LMCFKPNVINAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-7-10(4-2)12-9-8-11/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 2-oct-1-en-3-yloxyethanol?
2-oct-1-en-3-yloxyethanol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oct-1-en-3-yloxyethanol is sourced from PubChem (CID 87582686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).