(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol

C8H14O — CID 118421437

IUPAC(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol
SMILESCC[C@@H]1CC(O)=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-7-5-8(9)4-6(7)2/h4,6-7,9H,3,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyXDNAYIBVGMTAJA-NKWVEPMBSA-N
MW126.20 g/mol
LogP2.49
Rot. Bonds1

About (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol

(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol (PubChem CID 118421437) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol
PubChem CID118421437
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol
SMILESCC[C@@H]1CC(O)=C[C@@H]1C
InChIInChI=1S/C8H14O/c1-3-7-5-8(9)4-6(7)2/h4,6-7,9H,3,5H2,1-2H3/t6-,7+/m0/s1
InChIKeyXDNAYIBVGMTAJA-NKWVEPMBSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol?
The IUPAC name of (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol (CID 118421437) is (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol.
What is the SMILES notation for (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol?
The canonical SMILES for (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol is CC[C@@H]1CC(O)=C[C@@H]1C.
What is the InChIKey of (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol?
The InChIKey is XDNAYIBVGMTAJA-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O/c1-3-7-5-8(9)4-6(7)2/h4,6-7,9H,3,5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol?
(3R,4R)-4-ethyl-3-methylcyclopenten-1-ol has a molecular weight of 126.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-3-methylcyclopenten-1-ol is sourced from PubChem (CID 118421437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).