(3S)-2,4-dimethyl-3-propoxypentan-2-ol

C10H22O2 — CID 58469720

IUPAC(3S)-2,4-dimethyl-3-propoxypentan-2-ol
SMILESCCCO[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyBAHWDLHVDOYEBM-VIFPVBQESA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds5

About (3S)-2,4-dimethyl-3-propoxypentan-2-ol

(3S)-2,4-dimethyl-3-propoxypentan-2-ol (PubChem CID 58469720) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-propoxypentan-2-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-propoxypentan-2-ol
PubChem CID58469720
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name(3S)-2,4-dimethyl-3-propoxypentan-2-ol
SMILESCCCO[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyBAHWDLHVDOYEBM-VIFPVBQESA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-propoxypentan-2-ol (CID 58469720) is (3S)-2,4-dimethyl-3-propoxypentan-2-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-propoxypentan-2-ol is CCCO[C@@H](C(C)C)C(C)(C)O.
What is the InChIKey of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
The InChIKey is BAHWDLHVDOYEBM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22O2/c1-6-7-12-9(8(2)3)10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-propoxypentan-2-ol?
(3S)-2,4-dimethyl-3-propoxypentan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-propoxypentan-2-ol is sourced from PubChem (CID 58469720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).