cis-(1R,3S)-1-methyl-3-propylcyclohexane

C10H20 — CID 154071124

IUPACcis-(1R,3S)-1-methyl-3-propylcyclohexane
SMILESCCC[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H20/c1-3-5-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyHFHJBWYDQAWSIA-ZJUUUORDSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds2

About cis-(1R,3S)-1-methyl-3-propylcyclohexane

cis-(1R,3S)-1-methyl-3-propylcyclohexane (PubChem CID 154071124) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-propylcyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-propylcyclohexane
PubChem CID154071124
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namecis-(1R,3S)-1-methyl-3-propylcyclohexane
SMILESCCC[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H20/c1-3-5-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyHFHJBWYDQAWSIA-ZJUUUORDSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-ethyl-3-propylcyclohexane
CID 22129036
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-methyl-3-propylcyclohexane?
The IUPAC name of cis-(1R,3S)-1-methyl-3-propylcyclohexane (CID 154071124) is cis-(1R,3S)-1-methyl-3-propylcyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-propylcyclohexane?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-propylcyclohexane is CCC[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-propylcyclohexane?
The InChIKey is HFHJBWYDQAWSIA-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20/c1-3-5-10-7-4-6-9(2)8-10/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-propylcyclohexane?
cis-(1R,3S)-1-methyl-3-propylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-propylcyclohexane is sourced from PubChem (CID 154071124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).