trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane

C12H22 — CID 146946174

IUPACtrans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
SMILESC[C@H]1CCC[C@H]1CC1CCCC1
InChIInChI=1S/C12H22/c1-10-5-4-8-12(10)9-11-6-2-3-7-11/h10-12H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyAHVJPFOFBMUBAT-JQWIXIFHSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds2

About trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane

trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane (PubChem CID 146946174) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
PubChem CID146946174
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Nametrans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane
SMILESC[C@H]1CCC[C@H]1CC1CCCC1
InChIInChI=1S/C12H22/c1-10-5-4-8-12(10)9-11-6-2-3-7-11/h10-12H,2-9H2,1H3/t10-,12-/m0/s1
InChIKeyAHVJPFOFBMUBAT-JQWIXIFHSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
1-(cyclopent-3-en-1-ylmethyl)-2-methylcyclooctane
CID 163738529
2-(2-methylcyclopentyl)ethylcyclohexane
CID 134865391
4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
CID 163127985
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
1-(cyclobutylmethyl)-2,3,4-trimethylcyclohexane
CID 123414823
(4S)-5-methyl-2-[[(1R)-2-methylcyclohexyl]methyl]-4-[[(3R)-3-methylcyclohexyl]methyl]oxane
CID 155097816
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
cyclopentyl-bis[(2-methylcyclopentyl)methyl]phosphane
CID 59045194
2-[(2-methylcyclopentyl)methyl]azocane
CID 91042457

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane (CID 146946174) is trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane is C[C@H]1CCC[C@H]1CC1CCCC1.
What is the InChIKey of trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane?
The InChIKey is AHVJPFOFBMUBAT-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22/c1-10-5-4-8-12(10)9-11-6-2-3-7-11/h10-12H,2-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane?
trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(cyclopentylmethyl)-2-methylcyclopentane is sourced from PubChem (CID 146946174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).