cyclopropylmethylbenzene;ethane;methane

C13H22 — CID 142248267

IUPACcyclopropylmethylbenzene;ethane;methane
SMILESC.CC.c1ccc(CC2CC2)cc1
InChIInChI=1S/C10H12.C2H6.CH4/c1-2-4-9(5-3-1)8-10-6-7-10;1-2;/h1-5,10H,6-8H2;1-2H3;1H4
InChIKeyISSZHSXNHOKDMV-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.30
Rot. Bonds2

About cyclopropylmethylbenzene;ethane;methane

cyclopropylmethylbenzene;ethane;methane (PubChem CID 142248267) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is cyclopropylmethylbenzene;ethane;methane.

Molecular Properties

Compound Namecyclopropylmethylbenzene;ethane;methane
PubChem CID142248267
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namecyclopropylmethylbenzene;ethane;methane
SMILESC.CC.c1ccc(CC2CC2)cc1
InChIInChI=1S/C10H12.C2H6.CH4/c1-2-4-9(5-3-1)8-10-6-7-10;1-2;/h1-5,10H,6-8H2;1-2H3;1H4
InChIKeyISSZHSXNHOKDMV-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-benzylphosphinane
CID 130251660
1,4-bis[(4-methylcyclohexyl)methyl]benzene;ethane
CID 91321679
5-benzyl-2-methylcyclohexan-1-ol
CID 174712973
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methoxypiperidine
CID 146666995
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
cyclopentylmethylbenzene;formamide
CID 174870384

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylbenzene;ethane;methane?
The IUPAC name of cyclopropylmethylbenzene;ethane;methane (CID 142248267) is cyclopropylmethylbenzene;ethane;methane.
What is the SMILES notation for cyclopropylmethylbenzene;ethane;methane?
The canonical SMILES for cyclopropylmethylbenzene;ethane;methane is C.CC.c1ccc(CC2CC2)cc1.
What is the InChIKey of cyclopropylmethylbenzene;ethane;methane?
The InChIKey is ISSZHSXNHOKDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H6.CH4/c1-2-4-9(5-3-1)8-10-6-7-10;1-2;/h1-5,10H,6-8H2;1-2H3;1H4.
What are the key properties of cyclopropylmethylbenzene;ethane;methane?
cyclopropylmethylbenzene;ethane;methane has a molecular weight of 178.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylbenzene;ethane;methane is sourced from PubChem (CID 142248267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).