trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane

C13H26 — CID 59105659

IUPACtrans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
SMILESCC(C)C[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C13H26/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyCRTLEUOITMNSEN-OLZOCXBDSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds3

About trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane

trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane (PubChem CID 59105659) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
PubChem CID59105659
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nametrans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
SMILESCC(C)C[C@H]1CCCC[C@H]1C(C)C
InChIInChI=1S/C13H26/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyCRTLEUOITMNSEN-OLZOCXBDSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

1,2-bis(2-methylpropyl)cycloheptane
CID 175310859
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
CID 154060487
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
CID 59745597
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
[(Z)-aminomethylideneamino]methyl-[(2-propan-2-ylcycloheptyl)methyl]azanium
CID 142233744
N-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 61382234
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624
1-propan-2-yl-2-prop-2-ynylcyclopentane
CID 163812852
[2-(2-methylpropyl)cyclopentyl]silane
CID 123668655

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane?
The IUPAC name of trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane (CID 59105659) is trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane?
The canonical SMILES for trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane is CC(C)C[C@H]1CCCC[C@H]1C(C)C.
What is the InChIKey of trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane?
The InChIKey is CRTLEUOITMNSEN-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H26/c1-10(2)9-12-7-5-6-8-13(12)11(3)4/h10-13H,5-9H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane?
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane is sourced from PubChem (CID 59105659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).