propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane

C10H22O — CID 144913031

IUPACpropane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
SMILESCCC.CO[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14O.C3H8/c1-6-3-4-7(5-6)8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3/t6-,7-;/m0./s1
InChIKeySGEMIWHIIPDMKM-LEUCUCNGSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds1

About propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane

propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane (PubChem CID 144913031) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane.

Molecular Properties

Compound Namepropane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
PubChem CID144913031
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namepropane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
SMILESCCC.CO[C@H]1CC[C@H](C)C1
InChIInChI=1S/C7H14O.C3H8/c1-6-3-4-7(5-6)8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3/t6-,7-;/m0./s1
InChIKeySGEMIWHIIPDMKM-LEUCUCNGSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methoxy-4-methylheptane
CID 89207464
trans-(1R,3R)-1-methoxy-3-methylcyclopentane
CID 12176015
cis-(1R,3S)-1-methoxy-3-methylcyclopentane
CID 12176016
2,3,4,5-Tetramethyltetrahydrofuran
CID 22022762
(2S,4S)-2-methyl-4-propan-2-yloxolane
CID 134861879
1-Fluoro-2-methoxy-4-methylcyclopentane
CID 129299735
1-Fluoro-1-methyl-3-propan-2-yloxycyclopentane
CID 169821748
Ethane;1-methyl-3-(trifluoromethoxy)cyclopentane
CID 178108421
trans-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane
CID 102209276
cis-(1R,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxy]cyclopentane
CID 102209277
[(1R)-3-methylcyclopentyl] hypofluorite
CID 153401882
(1-Methoxyhexyl)cyclopentane
CID 71322775

Frequently Asked Questions

What is the IUPAC name of propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The IUPAC name of propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane (CID 144913031) is propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane.
What is the SMILES notation for propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The canonical SMILES for propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane is CCC.CO[C@H]1CC[C@H](C)C1.
What is the InChIKey of propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
The InChIKey is SGEMIWHIIPDMKM-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H14O.C3H8/c1-6-3-4-7(5-6)8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H2,1-2H3/t6-,7-;/m0./s1.
What are the key properties of propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane?
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane is sourced from PubChem (CID 144913031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).