1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane

C13H22 — CID 67506215

IUPAC1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane
SMILESCC1CC1CC1CC(C)C2CC12C
InChIInChI=1S/C13H22/c1-8-4-10(8)6-11-5-9(2)12-7-13(11,12)3/h8-12H,4-7H2,1-3H3
InChIKeyCBIIISBSPWISHO-UHFFFAOYSA-N
MW178.32 g/mol
LogP3.71
Rot. Bonds2

About 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane

1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane (PubChem CID 67506215) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane
PubChem CID67506215
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane
SMILESCC1CC1CC1CC(C)C2CC12C
InChIInChI=1S/C13H22/c1-8-4-10(8)6-11-5-9(2)12-7-13(11,12)3/h8-12H,4-7H2,1-3H3
InChIKeyCBIIISBSPWISHO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-methyl-1-(2-methylcyclopropyl)cyclopropane
CID 123849923
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
1-(2,4-dimethylcyclopentyl)-2-ethyl-1,6-dimethylcycloheptane
CID 173238361
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
CID 123234832
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane
CID 123233514
N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine
CID 129256150
N,N-dimethyl-1-[(2S)-2-methylcyclopropyl]methanamine
CID 153082605
2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane
CID 91468181
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane?
The IUPAC name of 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane (CID 67506215) is 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane.
What is the SMILES notation for 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane?
The canonical SMILES for 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane is CC1CC1CC1CC(C)C2CC12C.
What is the InChIKey of 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane?
The InChIKey is CBIIISBSPWISHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-8-4-10(8)6-11-5-9(2)12-7-13(11,12)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane?
1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane has a molecular weight of 178.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(2-methylcyclopropyl)methyl]bicyclo[3.1.0]hexane is sourced from PubChem (CID 67506215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).