trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane

C10H19NO — CID 54349624

IUPACtrans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@H](C)CC1N=O
InChIInChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyUEUPSSJBMLPNPN-QIIDTADFSA-N
MW169.27 g/mol
LogP3.21
Rot. Bonds2

About trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane

trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane (PubChem CID 54349624) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
PubChem CID54349624
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nametrans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
SMILESCC(C)[C@H]1CC[C@H](C)CC1N=O
InChIInChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyUEUPSSJBMLPNPN-QIIDTADFSA-N
XLogP3.21
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4R)-2-isocyanato-4-methyl-1-propan-2-ylcyclohexane
CID 124566817
(1R,2R,4R)-2-azido-4-methyl-1-propan-2-ylcyclohexane
CID 11579227
(1S,2R,4S)-2-azido-4-methyl-1-propan-2-ylcyclohexane
CID 96930704
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
hexakis[(-)-menthyl]distannane
CID 86177037
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-sulfonyl chloride
CID 155973554
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064

Frequently Asked Questions

What is the IUPAC name of trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane?
The IUPAC name of trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane (CID 54349624) is trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane?
The canonical SMILES for trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane is CC(C)[C@H]1CC[C@H](C)CC1N=O.
What is the InChIKey of trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane?
The InChIKey is UEUPSSJBMLPNPN-QIIDTADFSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9-5-4-8(3)6-10(9)11-12/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1.
What are the key properties of trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane?
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane has a molecular weight of 169.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane is sourced from PubChem (CID 54349624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).