(5,5-dimethyl-4-methylidenehexyl) hypochlorite

C9H17ClO — CID 130394409

IUPAC(5,5-dimethyl-4-methylidenehexyl) hypochlorite
SMILESC=C(CCCOCl)C(C)(C)C
InChIInChI=1S/C9H17ClO/c1-8(9(2,3)4)6-5-7-11-10/h1,5-7H2,2-4H3
InChIKeyXHOSJXVMWMIRHE-UHFFFAOYSA-N
MW176.69 g/mol
LogP3.54
Rot. Bonds4

About (5,5-dimethyl-4-methylidenehexyl) hypochlorite

(5,5-dimethyl-4-methylidenehexyl) hypochlorite (PubChem CID 130394409) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is (5,5-dimethyl-4-methylidenehexyl) hypochlorite.

Molecular Properties

Compound Name(5,5-dimethyl-4-methylidenehexyl) hypochlorite
PubChem CID130394409
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name(5,5-dimethyl-4-methylidenehexyl) hypochlorite
SMILESC=C(CCCOCl)C(C)(C)C
InChIInChI=1S/C9H17ClO/c1-8(9(2,3)4)6-5-7-11-10/h1,5-7H2,2-4H3
InChIKeyXHOSJXVMWMIRHE-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-4-methylidenehexyl) hypochlorite?
The IUPAC name of (5,5-dimethyl-4-methylidenehexyl) hypochlorite (CID 130394409) is (5,5-dimethyl-4-methylidenehexyl) hypochlorite.
What is the SMILES notation for (5,5-dimethyl-4-methylidenehexyl) hypochlorite?
The canonical SMILES for (5,5-dimethyl-4-methylidenehexyl) hypochlorite is C=C(CCCOCl)C(C)(C)C.
What is the InChIKey of (5,5-dimethyl-4-methylidenehexyl) hypochlorite?
The InChIKey is XHOSJXVMWMIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-8(9(2,3)4)6-5-7-11-10/h1,5-7H2,2-4H3.
What are the key properties of (5,5-dimethyl-4-methylidenehexyl) hypochlorite?
(5,5-dimethyl-4-methylidenehexyl) hypochlorite has a molecular weight of 176.69 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-4-methylidenehexyl) hypochlorite is sourced from PubChem (CID 130394409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).