3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene

C10H17Cl — CID 126544622

IUPAC3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene
SMILESC=C(C(Cl)=C(C)C)C(C)(C)C
InChIInChI=1S/C10H17Cl/c1-7(2)9(11)8(3)10(4,5)6/h3H2,1-2,4-6H3
InChIKeyDMZDZCMRGLCVNI-UHFFFAOYSA-N
MW172.70 g/mol
LogP4.12
Rot. Bonds1

About 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene

3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene (PubChem CID 126544622) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene.

Molecular Properties

Compound Name3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene
PubChem CID126544622
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene
SMILESC=C(C(Cl)=C(C)C)C(C)(C)C
InChIInChI=1S/C10H17Cl/c1-7(2)9(11)8(3)10(4,5)6/h3H2,1-2,4-6H3
InChIKeyDMZDZCMRGLCVNI-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 145367147
(Z)-5-chloro-4-fluoro-2,2-dimethyl-3-methylideneoct-4-ene
CID 167239876
(3E,5E)-8-chloro-6-fluoro-2,2,3,5,8-pentamethyl-7-methylidenenona-3,5-diene
CID 174254769
Trimethyltrichlorcyclopentadien
CID 129647494
3-(Chloromethyl)-1,2,3,4,5-pentamethyl-6-methylene-1,4-cyclohexadiene
CID 129772372
1,5-Dichloro-2,3,5,6,6-pentamethylcyclohexa-1,3-diene
CID 17819758
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 68631430
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tantalum
CID 87523822
1-Chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 87555173
(3E,5Z)-4-chloro-5-ethylocta-3,5-diene
CID 89381357
(3E,5Z)-4-tert-butyl-2-chlorohepta-1,3,5-triene
CID 89611637

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene?
The IUPAC name of 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene (CID 126544622) is 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene.
What is the SMILES notation for 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene?
The canonical SMILES for 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene is C=C(C(Cl)=C(C)C)C(C)(C)C.
What is the InChIKey of 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene?
The InChIKey is DMZDZCMRGLCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-7(2)9(11)8(3)10(4,5)6/h3H2,1-2,4-6H3.
What are the key properties of 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene?
3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene has a molecular weight of 172.70 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,5-trimethyl-4-methylidenehex-2-ene is sourced from PubChem (CID 126544622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).