(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol

C13H26O — CID 11095605

IUPAC(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
SMILESC[C@@H](CO)CCC1CC[C@@H](C)C1(C)C
InChIInChI=1S/C13H26O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h10-12,14H,5-9H2,1-4H3/t10-,11-,12?/m1/s1
InChIKeyDNRMDFBCDHYZSU-XFKKCKKNSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds4

About (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol

(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol (PubChem CID 11095605) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
PubChem CID11095605
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol
SMILESC[C@@H](CO)CCC1CC[C@@H](C)C1(C)C
InChIInChI=1S/C13H26O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h10-12,14H,5-9H2,1-4H3/t10-,11-,12?/m1/s1
InChIKeyDNRMDFBCDHYZSU-XFKKCKKNSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol?
The IUPAC name of (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol (CID 11095605) is (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol.
What is the SMILES notation for (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol?
The canonical SMILES for (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol is C[C@@H](CO)CCC1CC[C@@H](C)C1(C)C.
What is the InChIKey of (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol?
The InChIKey is DNRMDFBCDHYZSU-XFKKCKKNSA-N. The full InChI is InChI=1S/C13H26O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h10-12,14H,5-9H2,1-4H3/t10-,11-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol?
(2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[(3R)-2,2,3-trimethylcyclopentyl]butan-1-ol is sourced from PubChem (CID 11095605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).