1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane

C19H37+ — CID 123613577

IUPAC1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane
SMILESC[CH+]CC(C)CC(C)C1CCC(C)CCC(C)(C)C1
InChIInChI=1S/C19H37/c1-7-8-16(3)13-17(4)18-10-9-15(2)11-12-19(5,6)14-18/h7,15-18H,8-14H2,1-6H3/q+1
InChIKeyJLJQBBAUPVIOLW-UHFFFAOYSA-N
MW265.50 g/mol
LogP6.51
Rot. Bonds5

About 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane

1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane (PubChem CID 123613577) has the molecular formula C19H37+ and a molecular weight of 265.50 g/mol. Its IUPAC name is 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane.

Molecular Properties

Compound Name1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane
PubChem CID123613577
Molecular FormulaC19H37+
Molecular Weight265.50 g/mol
Exact Mass265.29
IUPAC Name1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane
SMILESC[CH+]CC(C)CC(C)C1CCC(C)CCC(C)(C)C1
InChIInChI=1S/C19H37/c1-7-8-16(3)13-17(4)18-10-9-15(2)11-12-19(5,6)14-18/h7,15-18H,8-14H2,1-6H3/q+1
InChIKeyJLJQBBAUPVIOLW-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,5-trimethyl-3-pentan-2-ylcycloheptane
CID 90776790
3-(1-bromopropan-2-yl)-1,1-dimethylcyclohexane
CID 134862351
3,3,6-trimethylcyclononan-1-amine
CID 170122621
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 65391054
1-butan-2-yl-4-methylcyclohexane
CID 20676481
1,1,4-trimethylcyclononane
CID 71397842
3-(4-methylcyclohexyl)butan-1-amine
CID 81013064
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
1-methyl-3-propan-2-ylcyclobutan-1-ol;1-methyl-4-propan-2-ylcyclohexane
CID 167705554
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
3-(1-bromoethyl)-1,1-dimethylcyclohexane
CID 66471069

Frequently Asked Questions

What is the IUPAC name of 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane?
The IUPAC name of 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane (CID 123613577) is 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane.
What is the SMILES notation for 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane?
The canonical SMILES for 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane is C[CH+]CC(C)CC(C)C1CCC(C)CCC(C)(C)C1.
What is the InChIKey of 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane?
The InChIKey is JLJQBBAUPVIOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37/c1-7-8-16(3)13-17(4)18-10-9-15(2)11-12-19(5,6)14-18/h7,15-18H,8-14H2,1-6H3/q+1.
What are the key properties of 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane?
1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane has a molecular weight of 265.50 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6-trimethyl-3-(4-methylheptan-2-yl)cyclooctane is sourced from PubChem (CID 123613577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).