9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane

C18H26O2 — CID 176604369

IUPAC9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC(OCC1CC2OC1C1C3CCC(C3)C21)=C1CCCC1
InChIInChI=1S/C18H26O2/c1-2-4-11(3-1)9-19-10-14-8-15-16-12-5-6-13(7-12)17(16)18(14)20-15/h9,12-18H,1-8,10H2
InChIKeyQBUCVEITLCMTQE-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.91
Rot. Bonds3

About 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane

9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 176604369) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID176604369
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC(OCC1CC2OC1C1C3CCC(C3)C21)=C1CCCC1
InChIInChI=1S/C18H26O2/c1-2-4-11(3-1)9-19-10-14-8-15-16-12-5-6-13(7-12)17(16)18(14)20-15/h9,12-18H,1-8,10H2
InChIKeyQBUCVEITLCMTQE-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
CID 176604134
8-(cyclopentylidenemethoxymethyl)-10-thiatricyclo[5.2.1.02,6]decane
CID 176604197
8-(2-methylprop-1-enoxymethyl)-10-oxatricyclo[5.2.1.02,6]decane
CID 176604700
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl formate
CID 89209334
4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
(1R,2R,4S)-2-(butoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 88577956
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
3-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane (CID 176604369) is 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane is C(OCC1CC2OC1C1C3CCC(C3)C21)=C1CCCC1.
What is the InChIKey of 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is QBUCVEITLCMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-4-11(3-1)9-19-10-14-8-15-16-12-5-6-13(7-12)17(16)18(14)20-15/h9,12-18H,1-8,10H2.
What are the key properties of 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane?
9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 274.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentylidenemethoxymethyl)-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 176604369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).