cis-(1S,3R)-1,3-dimethoxycyclopentane

C7H14O2 — CID 22214084

IUPACcis-(1S,3R)-1,3-dimethoxycyclopentane
SMILESCO[C@@H]1CC[C@H](OC)C1
InChIInChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyQBRPYJDRWAUJGP-KNVOCYPGSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds2

About cis-(1S,3R)-1,3-dimethoxycyclopentane

cis-(1S,3R)-1,3-dimethoxycyclopentane (PubChem CID 22214084) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is cis-(1S,3R)-1,3-dimethoxycyclopentane.

Molecular Properties

Compound Namecis-(1S,3R)-1,3-dimethoxycyclopentane
PubChem CID22214084
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namecis-(1S,3R)-1,3-dimethoxycyclopentane
SMILESCO[C@@H]1CC[C@H](OC)C1
InChIInChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3/t6-,7+
InChIKeyQBRPYJDRWAUJGP-KNVOCYPGSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxycyclopentan-1-ol
CID 22636915
cis-3-Methoxycyclopentanol
CID 58501750
trans-3-Methoxycyclopentanol
CID 67489479
1,3-Dimethoxycyclopentane
CID 551718
Cyclopentylmethyl ether-water
CID 141757339
trans-1,3-Dimethoxycyclopentane
CID 91696192
1-Ethoxy-3-methoxycyclopentane
CID 68015528
1,3-Dimethoxycyclopentane;ethane
CID 53757845
trans-(1R,3R)-1-ethoxy-3-methoxycyclopentane
CID 67489483
(1R)-3-methoxycyclopentan-1-ol
CID 70643175
(1R,3R)-3-methoxycyclopentan-1-ol
CID 97049174
1-Ethoxy-3-propoxycyclopentane
CID 117825480

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1,3-dimethoxycyclopentane?
The IUPAC name of cis-(1S,3R)-1,3-dimethoxycyclopentane (CID 22214084) is cis-(1S,3R)-1,3-dimethoxycyclopentane.
What is the SMILES notation for cis-(1S,3R)-1,3-dimethoxycyclopentane?
The canonical SMILES for cis-(1S,3R)-1,3-dimethoxycyclopentane is CO[C@@H]1CC[C@H](OC)C1.
What is the InChIKey of cis-(1S,3R)-1,3-dimethoxycyclopentane?
The InChIKey is QBRPYJDRWAUJGP-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H14O2/c1-8-6-3-4-7(5-6)9-2/h6-7H,3-5H2,1-2H3/t6-,7+.
What are the key properties of cis-(1S,3R)-1,3-dimethoxycyclopentane?
cis-(1S,3R)-1,3-dimethoxycyclopentane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1,3-dimethoxycyclopentane is sourced from PubChem (CID 22214084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).