3-[(E)-oct-2-enyl]oxolan-2-ol

C12H22O2 — CID 135071288

IUPAC3-[(E)-oct-2-enyl]oxolan-2-ol
SMILESCCCCC/C=C/CC1CCOC1O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h6-7,11-13H,2-5,8-10H2,1H3/b7-6+
InChIKeyGJHZDKBIJAURCQ-VOTSOKGWSA-N
MW198.31 g/mol
LogP2.87
Rot. Bonds6

About 3-[(E)-oct-2-enyl]oxolan-2-ol

3-[(E)-oct-2-enyl]oxolan-2-ol (PubChem CID 135071288) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(E)-oct-2-enyl]oxolan-2-ol.

Molecular Properties

Compound Name3-[(E)-oct-2-enyl]oxolan-2-ol
PubChem CID135071288
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-[(E)-oct-2-enyl]oxolan-2-ol
SMILESCCCCC/C=C/CC1CCOC1O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h6-7,11-13H,2-5,8-10H2,1H3/b7-6+
InChIKeyGJHZDKBIJAURCQ-VOTSOKGWSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.87
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

3-pentyloxolan-2-ol
CID 13291787
2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
CID 54311506
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
7-[(2S,3R)-2-oct-1-enyloxan-3-yl]hept-5-eneperoxoic acid
CID 140568678
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
(3S,4S)-3-oct-1-enyl-4-oct-2-enylcyclopentene
CID 57204921
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(Z)-tricos-11-ene
CID 5356790
(E)-hexacos-10-ene
CID 22172169
nonacos-6-ene
CID 25200821

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-oct-2-enyl]oxolan-2-ol?
The IUPAC name of 3-[(E)-oct-2-enyl]oxolan-2-ol (CID 135071288) is 3-[(E)-oct-2-enyl]oxolan-2-ol.
What is the SMILES notation for 3-[(E)-oct-2-enyl]oxolan-2-ol?
The canonical SMILES for 3-[(E)-oct-2-enyl]oxolan-2-ol is CCCCC/C=C/CC1CCOC1O.
What is the InChIKey of 3-[(E)-oct-2-enyl]oxolan-2-ol?
The InChIKey is GJHZDKBIJAURCQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h6-7,11-13H,2-5,8-10H2,1H3/b7-6+.
What are the key properties of 3-[(E)-oct-2-enyl]oxolan-2-ol?
3-[(E)-oct-2-enyl]oxolan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-oct-2-enyl]oxolan-2-ol is sourced from PubChem (CID 135071288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).