2-bromoprop-2-enoxycycloheptane

C10H17BrO — CID 88586401

IUPAC2-bromoprop-2-enoxycycloheptane
SMILESC=C(Br)COC1CCCCCC1
InChIInChI=1S/C10H17BrO/c1-9(11)8-12-10-6-4-2-3-5-7-10/h10H,1-8H2
InChIKeyVWZXBMWKTTYUJT-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.63
Rot. Bonds3

About 2-bromoprop-2-enoxycycloheptane

2-bromoprop-2-enoxycycloheptane (PubChem CID 88586401) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 2-bromoprop-2-enoxycycloheptane.

Molecular Properties

Compound Name2-bromoprop-2-enoxycycloheptane
PubChem CID88586401
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name2-bromoprop-2-enoxycycloheptane
SMILESC=C(Br)COC1CCCCCC1
InChIInChI=1S/C10H17BrO/c1-9(11)8-12-10-6-4-2-3-5-7-10/h10H,1-8H2
InChIKeyVWZXBMWKTTYUJT-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromoprop-2-enoxycycloheptane?
The IUPAC name of 2-bromoprop-2-enoxycycloheptane (CID 88586401) is 2-bromoprop-2-enoxycycloheptane.
What is the SMILES notation for 2-bromoprop-2-enoxycycloheptane?
The canonical SMILES for 2-bromoprop-2-enoxycycloheptane is C=C(Br)COC1CCCCCC1.
What is the InChIKey of 2-bromoprop-2-enoxycycloheptane?
The InChIKey is VWZXBMWKTTYUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-9(11)8-12-10-6-4-2-3-5-7-10/h10H,1-8H2.
What are the key properties of 2-bromoprop-2-enoxycycloheptane?
2-bromoprop-2-enoxycycloheptane has a molecular weight of 233.15 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoprop-2-enoxycycloheptane is sourced from PubChem (CID 88586401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).