(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene

C11H17Cl — CID 176661834

IUPAC(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene
SMILESC=C(Cl)/C=C\C(=C)CC(C)(C)C
InChIInChI=1S/C11H17Cl/c1-9(6-7-10(2)12)8-11(3,4)5/h6-7H,1-2,8H2,3-5H3/b7-6-
InChIKeyKTEZRQHUMXUUDR-SREVYHEPSA-N
MW184.71 g/mol
LogP4.29
Rot. Bonds3

About (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene

(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene (PubChem CID 176661834) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene
PubChem CID176661834
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene
SMILESC=C(Cl)/C=C\C(=C)CC(C)(C)C
InChIInChI=1S/C11H17Cl/c1-9(6-7-10(2)12)8-11(3,4)5/h6-7H,1-2,8H2,3-5H3/b7-6-
InChIKeyKTEZRQHUMXUUDR-SREVYHEPSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene?
The IUPAC name of (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene (CID 176661834) is (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene is C=C(Cl)/C=C\C(=C)CC(C)(C)C.
What is the InChIKey of (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene?
The InChIKey is KTEZRQHUMXUUDR-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17Cl/c1-9(6-7-10(2)12)8-11(3,4)5/h6-7H,1-2,8H2,3-5H3/b7-6-.
What are the key properties of (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene?
(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene has a molecular weight of 184.71 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 176661834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).