2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane

C14H22OS — CID 176605261

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
SMILESCC(OC=C1CCCC1)C1CC2CCC1S2
InChIInChI=1S/C14H22OS/c1-10(15-9-11-4-2-3-5-11)13-8-12-6-7-14(13)16-12/h9-10,12-14H,2-8H2,1H3
InChIKeyHMOZILHMQYYPQF-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.13
Rot. Bonds3

About 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane

2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane (PubChem CID 176605261) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
PubChem CID176605261
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane
SMILESCC(OC=C1CCCC1)C1CC2CCC1S2
InChIInChI=1S/C14H22OS/c1-10(15-9-11-4-2-3-5-11)13-8-12-6-7-14(13)16-12/h9-10,12-14H,2-8H2,1H3
InChIKeyHMOZILHMQYYPQF-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane (CID 176605261) is 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane is CC(OC=C1CCCC1)C1CC2CCC1S2.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane?
The InChIKey is HMOZILHMQYYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-10(15-9-11-4-2-3-5-11)13-8-12-6-7-14(13)16-12/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane?
2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane has a molecular weight of 238.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]-7-thiabicyclo[2.2.1]heptane is sourced from PubChem (CID 176605261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).