2-ethoxyoct-7-en-3-ol

C10H20O2 — CID 64541753

IUPAC2-ethoxyoct-7-en-3-ol
SMILESC=CCCCC(O)C(C)OCC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(11)9(3)12-5-2/h4,9-11H,1,5-8H2,2-3H3
InChIKeyUZWHVYOLRLWRFR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds7

About 2-ethoxyoct-7-en-3-ol

2-ethoxyoct-7-en-3-ol (PubChem CID 64541753) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethoxyoct-7-en-3-ol.

Molecular Properties

Compound Name2-ethoxyoct-7-en-3-ol
PubChem CID64541753
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethoxyoct-7-en-3-ol
SMILESC=CCCCC(O)C(C)OCC
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(11)9(3)12-5-2/h4,9-11H,1,5-8H2,2-3H3
InChIKeyUZWHVYOLRLWRFR-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Related Compounds

1,1-diethoxyhept-6-en-2-ol
CID 79496437
dec-9-ene-2,3-diol
CID 107008756
1-ethoxyethyl 2-pent-4-enylhept-6-enoate
CID 87574190
1-propan-2-yloxyhept-6-en-2-ol
CID 105102103
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828
12,12-diethoxydodec-1-ene
CID 146004846
ethyl 2-(1-hydroxyethyl)hept-6-enoate
CID 10726713
6-bromohept-1-ene
CID 12722403
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
2-ethoxy-6-ethylsulfonylhexan-3-ol
CID 65095543
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyoct-7-en-3-ol?
The IUPAC name of 2-ethoxyoct-7-en-3-ol (CID 64541753) is 2-ethoxyoct-7-en-3-ol.
What is the SMILES notation for 2-ethoxyoct-7-en-3-ol?
The canonical SMILES for 2-ethoxyoct-7-en-3-ol is C=CCCCC(O)C(C)OCC.
What is the InChIKey of 2-ethoxyoct-7-en-3-ol?
The InChIKey is UZWHVYOLRLWRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-7-8-10(11)9(3)12-5-2/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 2-ethoxyoct-7-en-3-ol?
2-ethoxyoct-7-en-3-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyoct-7-en-3-ol is sourced from PubChem (CID 64541753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).