4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene

C16H30O3 — CID 126699380

IUPAC4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene
SMILESCCCCCOC1=CCC(COCCCOC)CC1
InChIInChI=1S/C16H30O3/c1-3-4-5-13-19-16-9-7-15(8-10-16)14-18-12-6-11-17-2/h9,15H,3-8,10-14H2,1-2H3
InChIKeyNHCAOMXUGIRMQD-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.93
Rot. Bonds11

About 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene

4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene (PubChem CID 126699380) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene.

Molecular Properties

Compound Name4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene
PubChem CID126699380
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene
SMILESCCCCCOC1=CCC(COCCCOC)CC1
InChIInChI=1S/C16H30O3/c1-3-4-5-13-19-16-9-7-15(8-10-16)14-18-12-6-11-17-2/h9,15H,3-8,10-14H2,1-2H3
InChIKeyNHCAOMXUGIRMQD-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene?
The IUPAC name of 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene (CID 126699380) is 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene.
What is the SMILES notation for 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene?
The canonical SMILES for 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene is CCCCCOC1=CCC(COCCCOC)CC1.
What is the InChIKey of 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene?
The InChIKey is NHCAOMXUGIRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-3-4-5-13-19-16-9-7-15(8-10-16)14-18-12-6-11-17-2/h9,15H,3-8,10-14H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene?
4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene has a molecular weight of 270.41 g/mol, XLogP of 3.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxymethyl)-1-pentoxycyclohexene is sourced from PubChem (CID 126699380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).