2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane

C14H26 — CID 123855400

IUPAC2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane
SMILESCCCC(C)C(C)C1C2CC(C)C1C2
InChIInChI=1S/C14H26/c1-5-6-9(2)11(4)14-12-7-10(3)13(14)8-12/h9-14H,5-8H2,1-4H3
InChIKeyNJEUVZVDPLAMBQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.35
Rot. Bonds4

About 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane

2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane (PubChem CID 123855400) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane.

Molecular Properties

Compound Name2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane
PubChem CID123855400
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane
SMILESCCCC(C)C(C)C1C2CC(C)C1C2
InChIInChI=1S/C14H26/c1-5-6-9(2)11(4)14-12-7-10(3)13(14)8-12/h9-14H,5-8H2,1-4H3
InChIKeyNJEUVZVDPLAMBQ-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
1-(2-adamantyl)-N,2-dimethylpentan-1-amine
CID 107893397
4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane
CID 123145651
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
2-(2-methylcyclopropyl)-4-(3-methylhexyl)bicyclo[1.1.0]butane
CID 123920331
5-(3-methylhexan-2-yl)cyclohexa-1,3-diene
CID 91301373
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
1-methyl-3-(4-methylheptan-3-yl)cyclobutane
CID 123570171
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane?
The IUPAC name of 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane (CID 123855400) is 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane.
What is the SMILES notation for 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane?
The canonical SMILES for 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane is CCCC(C)C(C)C1C2CC(C)C1C2.
What is the InChIKey of 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane?
The InChIKey is NJEUVZVDPLAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-6-9(2)11(4)14-12-7-10(3)13(14)8-12/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane?
2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane has a molecular weight of 194.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylhexan-2-yl)bicyclo[2.1.1]hexane is sourced from PubChem (CID 123855400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).