(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane

C18H34 — CID 123177855

IUPAC(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane
SMILESC=C(C)CC(C)(CC)CCCCC1CCCCC1
InChIInChI=1S/C18H34/c1-5-18(4,15-16(2)3)14-10-9-13-17-11-7-6-8-12-17/h17H,2,5-15H2,1,3-4H3
InChIKeyQWBDADCNNSPYRQ-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.51
Rot. Bonds8

About (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane

(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane (PubChem CID 123177855) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane.

Molecular Properties

Compound Name(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane
PubChem CID123177855
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane
SMILESC=C(C)CC(C)(CC)CCCCC1CCCCC1
InChIInChI=1S/C18H34/c1-5-18(4,15-16(2)3)14-10-9-13-17-11-7-6-8-12-17/h17H,2,5-15H2,1,3-4H3
InChIKeyQWBDADCNNSPYRQ-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethyl-5,7-dimethyloct-7-enyl)cyclohexane?
The IUPAC name of (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane (CID 123177855) is (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane.
What is the SMILES notation for (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane?
The canonical SMILES for (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane is C=C(C)CC(C)(CC)CCCCC1CCCCC1.
What is the InChIKey of (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane?
The InChIKey is QWBDADCNNSPYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-18(4,15-16(2)3)14-10-9-13-17-11-7-6-8-12-17/h17H,2,5-15H2,1,3-4H3.
What are the key properties of (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane?
(5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane has a molecular weight of 250.47 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-5,7-dimethyloct-7-enyl)cyclohexane is sourced from PubChem (CID 123177855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).