3-(bromomethylidene)heptane

C8H15Br — CID 71393591

IUPAC3-(bromomethylidene)heptane
SMILESCCCCC(=CBr)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3
InChIKeyKKUCBFMTCNAAJY-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.87
Rot. Bonds4

About 3-(bromomethylidene)heptane

3-(bromomethylidene)heptane (PubChem CID 71393591) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(bromomethylidene)heptane.

Molecular Properties

Compound Name3-(bromomethylidene)heptane
PubChem CID71393591
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name3-(bromomethylidene)heptane
SMILESCCCCC(=CBr)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3
InChIKeyKKUCBFMTCNAAJY-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethylidene)heptane?
The IUPAC name of 3-(bromomethylidene)heptane (CID 71393591) is 3-(bromomethylidene)heptane.
What is the SMILES notation for 3-(bromomethylidene)heptane?
The canonical SMILES for 3-(bromomethylidene)heptane is CCCCC(=CBr)CC.
What is the InChIKey of 3-(bromomethylidene)heptane?
The InChIKey is KKUCBFMTCNAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-(bromomethylidene)heptane?
3-(bromomethylidene)heptane has a molecular weight of 191.11 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethylidene)heptane is sourced from PubChem (CID 71393591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).