3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane

C16H28O2 — CID 176604054

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane
SMILESCC1(CCOC=C2CCCC2)CCCCCOC1
InChIInChI=1S/C16H28O2/c1-16(9-5-2-6-11-18-14-16)10-12-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3
InChIKeyPDTFIUIYYCTGKC-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.45
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane

3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane (PubChem CID 176604054) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane
PubChem CID176604054
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane
SMILESCC1(CCOC=C2CCCC2)CCCCCOC1
InChIInChI=1S/C16H28O2/c1-16(9-5-2-6-11-18-14-16)10-12-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3
InChIKeyPDTFIUIYYCTGKC-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxepane
CID 176603108
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxocane
CID 176603560
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
3-[2-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176604857
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane (CID 176604054) is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane is CC1(CCOC=C2CCCC2)CCCCCOC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane?
The InChIKey is PDTFIUIYYCTGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-16(9-5-2-6-11-18-14-16)10-12-17-13-15-7-3-4-8-15/h13H,2-12,14H2,1H3.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane?
3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane has a molecular weight of 252.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxocane is sourced from PubChem (CID 176604054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).