(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane

C13H26O — CID 134222694

IUPAC(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane
SMILESCC(C)CC[C@@]1(C)CC[C@@H](C(C)C)O1
InChIInChI=1S/C13H26O/c1-10(2)6-8-13(5)9-7-12(14-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-,13-/m0/s1
InChIKeyAZDIEXDRQYUVLV-STQMWFEESA-N
MW198.35 g/mol
LogP4.02
Rot. Bonds4

About (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane

(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane (PubChem CID 134222694) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane
PubChem CID134222694
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane
SMILESCC(C)CC[C@@]1(C)CC[C@@H](C(C)C)O1
InChIInChI=1S/C13H26O/c1-10(2)6-8-13(5)9-7-12(14-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-,13-/m0/s1
InChIKeyAZDIEXDRQYUVLV-STQMWFEESA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane?
The IUPAC name of (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane (CID 134222694) is (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane.
What is the SMILES notation for (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane?
The canonical SMILES for (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane is CC(C)CC[C@@]1(C)CC[C@@H](C(C)C)O1.
What is the InChIKey of (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane?
The InChIKey is AZDIEXDRQYUVLV-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)6-8-13(5)9-7-12(14-13)11(3)4/h10-12H,6-9H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane?
(2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane has a molecular weight of 198.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-methyl-2-(3-methylbutyl)-5-propan-2-yloxolane is sourced from PubChem (CID 134222694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).