4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene

C19H34 — CID 123628126

IUPAC4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene
SMILESCC=C(CC)C(C)(C)CCC(C)C1CC=C(C)CC1
InChIInChI=1S/C19H34/c1-7-18(8-2)19(5,6)14-13-16(4)17-11-9-15(3)10-12-17/h7,9,16-17H,8,10-14H2,1-6H3
InChIKeyKLNSBRCLEDVJOS-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.53
Rot. Bonds6

About 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene

4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene (PubChem CID 123628126) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene.

Molecular Properties

Compound Name4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene
PubChem CID123628126
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene
SMILESCC=C(CC)C(C)(C)CCC(C)C1CC=C(C)CC1
InChIInChI=1S/C19H34/c1-7-18(8-2)19(5,6)14-13-16(4)17-11-9-15(3)10-12-17/h7,9,16-17H,8,10-14H2,1-6H3
InChIKeyKLNSBRCLEDVJOS-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene?
The IUPAC name of 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene (CID 123628126) is 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene.
What is the SMILES notation for 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene?
The canonical SMILES for 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene is CC=C(CC)C(C)(C)CCC(C)C1CC=C(C)CC1.
What is the InChIKey of 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene?
The InChIKey is KLNSBRCLEDVJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-7-18(8-2)19(5,6)14-13-16(4)17-11-9-15(3)10-12-17/h7,9,16-17H,8,10-14H2,1-6H3.
What are the key properties of 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene?
4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene has a molecular weight of 262.48 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5,5-dimethyloct-6-en-2-yl)-1-methylcyclohexene is sourced from PubChem (CID 123628126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).