(3Z)-3-(bromomethylidene)heptane

C8H15Br — CID 134981034

IUPAC(3Z)-3-(bromomethylidene)heptane
SMILESCCCC/C(=C\Br)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3/b8-7-
InChIKeyKKUCBFMTCNAAJY-FPLPWBNLSA-N
MW191.11 g/mol
LogP3.87
Rot. Bonds4

About (3Z)-3-(bromomethylidene)heptane

(3Z)-3-(bromomethylidene)heptane (PubChem CID 134981034) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is (3Z)-3-(bromomethylidene)heptane.

Molecular Properties

Compound Name(3Z)-3-(bromomethylidene)heptane
PubChem CID134981034
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name(3Z)-3-(bromomethylidene)heptane
SMILESCCCC/C(=C\Br)CC
InChIInChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3/b8-7-
InChIKeyKKUCBFMTCNAAJY-FPLPWBNLSA-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

Analyze (3Z)-3-(bromomethylidene)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(bromomethylidene)heptane?
The IUPAC name of (3Z)-3-(bromomethylidene)heptane (CID 134981034) is (3Z)-3-(bromomethylidene)heptane.
What is the SMILES notation for (3Z)-3-(bromomethylidene)heptane?
The canonical SMILES for (3Z)-3-(bromomethylidene)heptane is CCCC/C(=C\Br)CC.
What is the InChIKey of (3Z)-3-(bromomethylidene)heptane?
The InChIKey is KKUCBFMTCNAAJY-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H15Br/c1-3-5-6-8(4-2)7-9/h7H,3-6H2,1-2H3/b8-7-.
What are the key properties of (3Z)-3-(bromomethylidene)heptane?
(3Z)-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 (3Z)-3-(bromomethylidene)heptane is sourced from PubChem (CID 134981034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).