(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol

C8H14O — CID 134858761

IUPAC(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol
SMILESC[C@H]1[C@@H](C)C=C(O)[C@@H]1C
InChIInChI=1S/C8H14O/c1-5-4-8(9)7(3)6(5)2/h4-7,9H,1-3H3/t5-,6-,7+/m0/s1
InChIKeyVHFYREOEDIYLON-LYFYHCNISA-N
MW126.20 g/mol
LogP2.35
Rot. Bonds

About (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol

(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol (PubChem CID 134858761) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol.

Molecular Properties

Compound Name(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol
PubChem CID134858761
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol
SMILESC[C@H]1[C@@H](C)C=C(O)[C@@H]1C
InChIInChI=1S/C8H14O/c1-5-4-8(9)7(3)6(5)2/h4-7,9H,1-3H3/t5-,6-,7+/m0/s1
InChIKeyVHFYREOEDIYLON-LYFYHCNISA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol?
The IUPAC name of (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol (CID 134858761) is (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol.
What is the SMILES notation for (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol?
The canonical SMILES for (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol is C[C@H]1[C@@H](C)C=C(O)[C@@H]1C.
What is the InChIKey of (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol?
The InChIKey is VHFYREOEDIYLON-LYFYHCNISA-N. The full InChI is InChI=1S/C8H14O/c1-5-4-8(9)7(3)6(5)2/h4-7,9H,1-3H3/t5-,6-,7+/m0/s1.
What are the key properties of (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol?
(3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol has a molecular weight of 126.20 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4,5-trimethylcyclopenten-1-ol is sourced from PubChem (CID 134858761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).