trans-(1S,3S)-3-methoxycyclopentan-1-ol

C6H12O2 — CID 97049174

IUPACtrans-(1S,3S)-3-methoxycyclopentan-1-ol
SMILESCO[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H12O2/c1-8-6-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyDYTJEQBUSOPLJD-WDSKDSINSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds1

About trans-(1S,3S)-3-methoxycyclopentan-1-ol

trans-(1S,3S)-3-methoxycyclopentan-1-ol (PubChem CID 97049174) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is trans-(1S,3S)-3-methoxycyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-methoxycyclopentan-1-ol
PubChem CID97049174
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nametrans-(1S,3S)-3-methoxycyclopentan-1-ol
SMILESCO[C@H]1CC[C@H](O)C1
InChIInChI=1S/C6H12O2/c1-8-6-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyDYTJEQBUSOPLJD-WDSKDSINSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-methoxycyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-methoxycyclopentan-1-ol (CID 97049174) is trans-(1S,3S)-3-methoxycyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-methoxycyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-methoxycyclopentan-1-ol is CO[C@H]1CC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-methoxycyclopentan-1-ol?
The InChIKey is DYTJEQBUSOPLJD-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O2/c1-8-6-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-methoxycyclopentan-1-ol?
trans-(1S,3S)-3-methoxycyclopentan-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-methoxycyclopentan-1-ol is sourced from PubChem (CID 97049174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).