2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane

C10H16O2 — CID 2771947

IUPAC2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane
SMILESC1=CCC(COCC2CO2)CC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-2,9-10H,3-8H2
InChIKeyNTVWXHIDJCPOAJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane

2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane (PubChem CID 2771947) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane
PubChem CID2771947
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane
SMILESC1=CCC(COCC2CO2)CC1
InChIInChI=1S/C10H16O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-2,9-10H,3-8H2
InChIKeyNTVWXHIDJCPOAJ-UHFFFAOYSA-N
XLogP1.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-Epoxy-4-vinylcyclohexane
CID 114431
2-[[1-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methoxymethyl]oxirane
CID 155111
2-(3,7-Dimethyloct-6-enoxymethyl)oxirane
CID 15580334
[(2R,3R)-3-[(E,2R)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 131248788
[3-[(E)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 14039813
[1-(Oxiran-2-ylmethoxymethyl)cyclohex-3-en-1-yl]methanol
CID 15734529
2-[(4-Ethenylcyclohexyl)oxymethyl]oxirane
CID 22497822
2-(2-Cyclohexa-2,4-dien-1-ylethoxymethyl)-3-methyloxirane
CID 22768278
(3-Hex-4-en-2-yloxiran-2-yl)methanol
CID 53644645
4-(2-Ethoxyethoxymethyl)-3,6-dimethylcyclohexene
CID 53853492
2-[(5-Ethylcyclohex-3-en-1-yl)methoxymethyl]oxirane
CID 87085237
2-[[(Z)-4-ethyl-2-methylhept-5-enoxy]methyl]oxirane
CID 87085372

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane (CID 2771947) is 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane is C1=CCC(COCC2CO2)CC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane?
The InChIKey is NTVWXHIDJCPOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-2,9-10H,3-8H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane?
2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane has a molecular weight of 168.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethoxymethyl)oxirane is sourced from PubChem (CID 2771947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).