4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene

C19H32O2 — CID 19985366

IUPAC4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene
SMILESCOCC(COC)(CC1CC=CCC1)CC1CC=CCC1
InChIInChI=1S/C19H32O2/c1-20-15-19(16-21-2,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-5,7,17-18H,6,8-16H2,1-2H3
InChIKeyJWDRNBDNASWFTB-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.76
Rot. Bonds8

About 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene

4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene (PubChem CID 19985366) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene.

Molecular Properties

Compound Name4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene
PubChem CID19985366
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene
SMILESCOCC(COC)(CC1CC=CCC1)CC1CC=CCC1
InChIInChI=1S/C19H32O2/c1-20-15-19(16-21-2,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-5,7,17-18H,6,8-16H2,1-2H3
InChIKeyJWDRNBDNASWFTB-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene?
The IUPAC name of 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene (CID 19985366) is 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene.
What is the SMILES notation for 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene?
The canonical SMILES for 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene is COCC(COC)(CC1CC=CCC1)CC1CC=CCC1.
What is the InChIKey of 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene?
The InChIKey is JWDRNBDNASWFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-20-15-19(16-21-2,13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-5,7,17-18H,6,8-16H2,1-2H3.
What are the key properties of 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene?
4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene has a molecular weight of 292.46 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2-(methoxymethyl)propyl]cyclohexene is sourced from PubChem (CID 19985366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).