(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol

C10H20O2 — CID 58469119

IUPAC(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OC1CC1)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-7(2)9(10(3,4)11)12-8-5-6-8/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyYTFZKAZVCPQLLV-VIFPVBQESA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds4

About (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol

(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol (PubChem CID 58469119) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol
PubChem CID58469119
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol
SMILESCC(C)[C@H](OC1CC1)C(C)(C)O
InChIInChI=1S/C10H20O2/c1-7(2)9(10(3,4)11)12-8-5-6-8/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyYTFZKAZVCPQLLV-VIFPVBQESA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol?
The IUPAC name of (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol (CID 58469119) is (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol?
The canonical SMILES for (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol is CC(C)[C@H](OC1CC1)C(C)(C)O.
What is the InChIKey of (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol?
The InChIKey is YTFZKAZVCPQLLV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O2/c1-7(2)9(10(3,4)11)12-8-5-6-8/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol?
(3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyloxy-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 58469119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).