ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane

C13H26 — CID 144517387

IUPACethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
SMILESCC.CC(C)CC1CC2CC2(C)C1
InChIInChI=1S/C11H20.C2H6/c1-8(2)4-9-5-10-7-11(10,3)6-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyXNOSVJBTRFTJKU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds2

About ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane

ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane (PubChem CID 144517387) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
PubChem CID144517387
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane
SMILESCC.CC(C)CC1CC2CC2(C)C1
InChIInChI=1S/C11H20.C2H6/c1-8(2)4-9-5-10-7-11(10,3)6-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3
InChIKeyXNOSVJBTRFTJKU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(3R,5S)-1,1-difluoro-3-(2-methylpropyl)-5-(trifluoromethyl)cyclohexane
CID 140722936
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 57210589
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1,1,2-trimethyl-4-(2-methylpropyl)cyclobutane
CID 59045615
2-methyl-4-(2-methylpropyl)pyrrolidine
CID 82594318
2-methyl-4-(2-methylpropyl)thiolane
CID 57202596
2-cyclopropyl-1-hexyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64849739
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
1-(3,5-dimethylcyclohexyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429945

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane?
The IUPAC name of ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane (CID 144517387) is ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane?
The canonical SMILES for ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane is CC.CC(C)CC1CC2CC2(C)C1.
What is the InChIKey of ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane?
The InChIKey is XNOSVJBTRFTJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C2H6/c1-8(2)4-9-5-10-7-11(10,3)6-9;1-2/h8-10H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane?
ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(2-methylpropyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 144517387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).