1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane

C23H44O — CID 129162759

IUPAC1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane
SMILESC/C=C\CC(C)COC(CC)CCCC1CCC(C)C1(C)CCC
InChIInChI=1S/C23H44O/c1-7-10-12-19(4)18-24-22(9-3)14-11-13-21-16-15-20(5)23(21,6)17-8-2/h7,10,19-22H,8-9,11-18H2,1-6H3/b10-7-
InChIKeyKDMLMRRDMRNBQB-YFHOEESVSA-N
MW336.60 g/mol
LogP7.41
Rot. Bonds12

About 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane

1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane (PubChem CID 129162759) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane.

Molecular Properties

Compound Name1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane
PubChem CID129162759
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane
SMILESC/C=C\CC(C)COC(CC)CCCC1CCC(C)C1(C)CCC
InChIInChI=1S/C23H44O/c1-7-10-12-19(4)18-24-22(9-3)14-11-13-21-16-15-20(5)23(21,6)17-8-2/h7,10,19-22H,8-9,11-18H2,1-6H3/b10-7-
InChIKeyKDMLMRRDMRNBQB-YFHOEESVSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane?
The IUPAC name of 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane (CID 129162759) is 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane.
What is the SMILES notation for 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane?
The canonical SMILES for 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane is C/C=C\CC(C)COC(CC)CCCC1CCC(C)C1(C)CCC.
What is the InChIKey of 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane?
The InChIKey is KDMLMRRDMRNBQB-YFHOEESVSA-N. The full InChI is InChI=1S/C23H44O/c1-7-10-12-19(4)18-24-22(9-3)14-11-13-21-16-15-20(5)23(21,6)17-8-2/h7,10,19-22H,8-9,11-18H2,1-6H3/b10-7-.
What are the key properties of 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane?
1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane has a molecular weight of 336.60 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-[4-[(Z)-2-methylhex-4-enoxy]hexyl]-1-propylcyclopentane is sourced from PubChem (CID 129162759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).