3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane

C16H28O2 — CID 176603026

IUPAC3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane
SMILESCCC1(CCCOC=C2CCCCC2)CCOC1
InChIInChI=1S/C16H28O2/c1-2-16(10-12-18-14-16)9-6-11-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3
InChIKeyREYTXZXAQXIWCJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.45
Rot. Bonds6

About 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane

3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane (PubChem CID 176603026) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane.

Molecular Properties

Compound Name3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane
PubChem CID176603026
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane
SMILESCCC1(CCCOC=C2CCCCC2)CCOC1
InChIInChI=1S/C16H28O2/c1-2-16(10-12-18-14-16)9-6-11-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3
InChIKeyREYTXZXAQXIWCJ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxane
CID 176603231
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxetane
CID 176603255
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxolane
CID 176603522
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methyloxane
CID 176603816
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane?
The IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane (CID 176603026) is 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane.
What is the SMILES notation for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane?
The canonical SMILES for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane is CCC1(CCCOC=C2CCCCC2)CCOC1.
What is the InChIKey of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane?
The InChIKey is REYTXZXAQXIWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-16(10-12-18-14-16)9-6-11-17-13-15-7-4-3-5-8-15/h13H,2-12,14H2,1H3.
What are the key properties of 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane?
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane has a molecular weight of 252.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylidenemethoxy)propyl]-3-ethyloxolane is sourced from PubChem (CID 176603026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).