5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane

C14H22 — CID 123322308

IUPAC5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane
SMILESCCC(C)C(C)C(C)C1CC23C4C2C143
InChIInChI=1S/C14H22/c1-5-7(2)8(3)9(4)10-6-13-11-12(13)14(10,11)13/h7-12H,5-6H2,1-4H3
InChIKeyDZGGUYMBNKLANJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.57
Rot. Bonds4

About 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane

5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane (PubChem CID 123322308) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane.

Molecular Properties

Compound Name5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane
PubChem CID123322308
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane
SMILESCCC(C)C(C)C(C)C1CC23C4C2C143
InChIInChI=1S/C14H22/c1-5-7(2)8(3)9(4)10-6-13-11-12(13)14(10,11)13/h7-12H,5-6H2,1-4H3
InChIKeyDZGGUYMBNKLANJ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
cyclobutane;2,3-dimethylpentane
CID 145154125
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19-heptadecamethylhenicosan-2-ylcyclopropane
CID 123401956
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylpentane;ethane;methane
CID 143379754
1-methyl-3-(3-methylpentan-2-yl)cyclobutan-1-amine
CID 123215051
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
2-(10-ethyl-3,4,6,8,11,12-hexamethylpentadecan-2-yl)-1,1-dimethylcyclopropane
CID 123653501
2-(3,4,5-trimethylheptan-2-yl)bicyclo[2.2.0]hexane
CID 123639406
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane?
The IUPAC name of 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane (CID 123322308) is 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane.
What is the SMILES notation for 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane?
The canonical SMILES for 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane is CCC(C)C(C)C(C)C1CC23C4C2C143.
What is the InChIKey of 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane?
The InChIKey is DZGGUYMBNKLANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-7(2)8(3)9(4)10-6-13-11-12(13)14(10,11)13/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane?
5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane has a molecular weight of 190.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylhexan-2-yl)tetracyclo[2.2.0.01,3.02,4]hexane is sourced from PubChem (CID 123322308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).