2-[3-(cyclohexylidenemethoxy)propyl]oxocane

C17H30O2 — CID 176603505

IUPAC2-[3-(cyclohexylidenemethoxy)propyl]oxocane
SMILESC(OCCCC1CCCCCCO1)=C1CCCCC1
InChIInChI=1S/C17H30O2/c1-2-7-14-19-17(11-6-1)12-8-13-18-15-16-9-4-3-5-10-16/h15,17H,1-14H2
InChIKeyDNGUGIZSYCFXKS-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.98
Rot. Bonds5

About 2-[3-(cyclohexylidenemethoxy)propyl]oxocane

2-[3-(cyclohexylidenemethoxy)propyl]oxocane (PubChem CID 176603505) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[3-(cyclohexylidenemethoxy)propyl]oxocane.

Molecular Properties

Compound Name2-[3-(cyclohexylidenemethoxy)propyl]oxocane
PubChem CID176603505
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[3-(cyclohexylidenemethoxy)propyl]oxocane
SMILESC(OCCCC1CCCCCCO1)=C1CCCCC1
InChIInChI=1S/C17H30O2/c1-2-7-14-19-17(11-6-1)12-8-13-18-15-16-9-4-3-5-10-16/h15,17H,1-14H2
InChIKeyDNGUGIZSYCFXKS-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.98
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-(Cyclohexylidenemethoxy)oxocane
CID 176603020
2-(Cyclohexylidenemethoxymethyl)oxocane
CID 176603472
2-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176603711
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
3-[2-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176604471
2-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604570
2-[3-(Cyclohexylidenemethoxy)propyl]oxane
CID 176605196
2-[3-(Cyclopentylidenemethoxy)propyl]oxocane
CID 176605202

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]oxocane?
The IUPAC name of 2-[3-(cyclohexylidenemethoxy)propyl]oxocane (CID 176603505) is 2-[3-(cyclohexylidenemethoxy)propyl]oxocane.
What is the SMILES notation for 2-[3-(cyclohexylidenemethoxy)propyl]oxocane?
The canonical SMILES for 2-[3-(cyclohexylidenemethoxy)propyl]oxocane is C(OCCCC1CCCCCCO1)=C1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylidenemethoxy)propyl]oxocane?
The InChIKey is DNGUGIZSYCFXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-7-14-19-17(11-6-1)12-8-13-18-15-16-9-4-3-5-10-16/h15,17H,1-14H2.
What are the key properties of 2-[3-(cyclohexylidenemethoxy)propyl]oxocane?
2-[3-(cyclohexylidenemethoxy)propyl]oxocane has a molecular weight of 266.42 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylidenemethoxy)propyl]oxocane is sourced from PubChem (CID 176603505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).