(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol

C15H28O2 — CID 155176594

IUPAC(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol
SMILESCC1CCCCCC(C2C[C@@H](O)C[C@@H](C)O2)C1
InChIInChI=1S/C15H28O2/c1-11-6-4-3-5-7-13(8-11)15-10-14(16)9-12(2)17-15/h11-16H,3-10H2,1-2H3/t11?,12-,13?,14+,15?/m1/s1
InChIKeyPKXNLBYBOWZHDU-MFEYBKIZSA-N
MW240.39 g/mol
LogP3.52
Rot. Bonds1

About (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol

(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol (PubChem CID 155176594) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol
PubChem CID155176594
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol
SMILESCC1CCCCCC(C2C[C@@H](O)C[C@@H](C)O2)C1
InChIInChI=1S/C15H28O2/c1-11-6-4-3-5-7-13(8-11)15-10-14(16)9-12(2)17-15/h11-16H,3-10H2,1-2H3/t11?,12-,13?,14+,15?/m1/s1
InChIKeyPKXNLBYBOWZHDU-MFEYBKIZSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol?
The IUPAC name of (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol (CID 155176594) is (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol.
What is the SMILES notation for (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol?
The canonical SMILES for (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol is CC1CCCCCC(C2C[C@@H](O)C[C@@H](C)O2)C1.
What is the InChIKey of (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol?
The InChIKey is PKXNLBYBOWZHDU-MFEYBKIZSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-6-4-3-5-7-13(8-11)15-10-14(16)9-12(2)17-15/h11-16H,3-10H2,1-2H3/t11?,12-,13?,14+,15?/m1/s1.
What are the key properties of (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol?
(2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol has a molecular weight of 240.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-6-(3-methylcyclooctyl)oxan-4-ol is sourced from PubChem (CID 155176594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).