(3R)-1,1-dimethoxypentan-3-ol

C7H16O3 — CID 53465356

IUPAC(3R)-1,1-dimethoxypentan-3-ol
SMILESCC[C@@H](O)CC(OC)OC
InChIInChI=1S/C7H16O3/c1-4-6(8)5-7(9-2)10-3/h6-8H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyLTDOQXREVLFHMS-ZCFIWIBFSA-N
MW148.20 g/mol
LogP0.77
Rot. Bonds5

About (3R)-1,1-dimethoxypentan-3-ol

(3R)-1,1-dimethoxypentan-3-ol (PubChem CID 53465356) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is (3R)-1,1-dimethoxypentan-3-ol.

Molecular Properties

Compound Name(3R)-1,1-dimethoxypentan-3-ol
PubChem CID53465356
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name(3R)-1,1-dimethoxypentan-3-ol
SMILESCC[C@@H](O)CC(OC)OC
InChIInChI=1S/C7H16O3/c1-4-6(8)5-7(9-2)10-3/h6-8H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyLTDOQXREVLFHMS-ZCFIWIBFSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dimethoxypentan-3-ol?
The IUPAC name of (3R)-1,1-dimethoxypentan-3-ol (CID 53465356) is (3R)-1,1-dimethoxypentan-3-ol.
What is the SMILES notation for (3R)-1,1-dimethoxypentan-3-ol?
The canonical SMILES for (3R)-1,1-dimethoxypentan-3-ol is CC[C@@H](O)CC(OC)OC.
What is the InChIKey of (3R)-1,1-dimethoxypentan-3-ol?
The InChIKey is LTDOQXREVLFHMS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-6(8)5-7(9-2)10-3/h6-8H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (3R)-1,1-dimethoxypentan-3-ol?
(3R)-1,1-dimethoxypentan-3-ol has a molecular weight of 148.20 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dimethoxypentan-3-ol is sourced from PubChem (CID 53465356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).