7-chloro-7-methyl-3-methylideneoct-1-ene

C10H17Cl — CID 3015281

IUPAC7-chloro-7-methyl-3-methylideneoct-1-ene
SMILESC=CC(=C)CCCC(C)(C)Cl
InChIInChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3
InChIKeyNITSLSVRNZVJHN-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.92
Rot. Bonds5

About 7-chloro-7-methyl-3-methylideneoct-1-ene

7-chloro-7-methyl-3-methylideneoct-1-ene (PubChem CID 3015281) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 7-chloro-7-methyl-3-methylideneoct-1-ene.

Molecular Properties

Compound Name7-chloro-7-methyl-3-methylideneoct-1-ene
PubChem CID3015281
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name7-chloro-7-methyl-3-methylideneoct-1-ene
SMILESC=CC(=C)CCCC(C)(C)Cl
InChIInChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3
InChIKeyNITSLSVRNZVJHN-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-7-methyl-3-methylideneoct-1-ene?
The IUPAC name of 7-chloro-7-methyl-3-methylideneoct-1-ene (CID 3015281) is 7-chloro-7-methyl-3-methylideneoct-1-ene.
What is the SMILES notation for 7-chloro-7-methyl-3-methylideneoct-1-ene?
The canonical SMILES for 7-chloro-7-methyl-3-methylideneoct-1-ene is C=CC(=C)CCCC(C)(C)Cl.
What is the InChIKey of 7-chloro-7-methyl-3-methylideneoct-1-ene?
The InChIKey is NITSLSVRNZVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-5-9(2)7-6-8-10(3,4)11/h5H,1-2,6-8H2,3-4H3.
What are the key properties of 7-chloro-7-methyl-3-methylideneoct-1-ene?
7-chloro-7-methyl-3-methylideneoct-1-ene has a molecular weight of 172.70 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-7-methyl-3-methylideneoct-1-ene is sourced from PubChem (CID 3015281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).