cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol

C8H16O3 — CID 59905567

IUPACcis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol
SMILESCOC[C@@]1(O)C[C@@H](C)CC1O
InChIInChI=1S/C8H16O3/c1-6-3-7(9)8(10,4-6)5-11-2/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,8-/m0/s1
InChIKeyKIRFEAGYPPMITF-PPSBICQBSA-N
MW160.21 g/mol
LogP0.15
Rot. Bonds2

About cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol

cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol (PubChem CID 59905567) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol
PubChem CID59905567
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namecis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol
SMILESCOC[C@@]1(O)C[C@@H](C)CC1O
InChIInChI=1S/C8H16O3/c1-6-3-7(9)8(10,4-6)5-11-2/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,8-/m0/s1
InChIKeyKIRFEAGYPPMITF-PPSBICQBSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol?
The IUPAC name of cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol (CID 59905567) is cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol is COC[C@@]1(O)C[C@@H](C)CC1O.
What is the InChIKey of cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol?
The InChIKey is KIRFEAGYPPMITF-PPSBICQBSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-3-7(9)8(10,4-6)5-11-2/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,8-/m0/s1.
What are the key properties of cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol?
cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,4S)-1-(methoxymethyl)-4-methylcyclopentane-1,2-diol is sourced from PubChem (CID 59905567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).