4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene

C15H24O2 — CID 57227953

IUPAC4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene
SMILESC1=CCC(COCOCC2CC=CCC2)CC1
InChIInChI=1S/C15H24O2/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15/h1-3,5,14-15H,4,6-13H2
InChIKeyWTLKZQAACUTNHT-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds6

About 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene

4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene (PubChem CID 57227953) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene
PubChem CID57227953
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene
SMILESC1=CCC(COCOCC2CC=CCC2)CC1
InChIInChI=1S/C15H24O2/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15/h1-3,5,14-15H,4,6-13H2
InChIKeyWTLKZQAACUTNHT-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene?
The IUPAC name of 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene (CID 57227953) is 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene?
The canonical SMILES for 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene is C1=CCC(COCOCC2CC=CCC2)CC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene?
The InChIKey is WTLKZQAACUTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15/h1-3,5,14-15H,4,6-13H2.
What are the key properties of 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene?
4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene has a molecular weight of 236.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylmethoxymethoxymethyl)cyclohexene is sourced from PubChem (CID 57227953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).