(5-hydroxy-3-methylpentan-2-yl) formate

C7H14O3 — CID 141091894

IUPAC(5-hydroxy-3-methylpentan-2-yl) formate
SMILESCC(CCO)C(C)OC=O
InChIInChI=1S/C7H14O3/c1-6(3-4-8)7(2)10-5-9/h5-8H,3-4H2,1-2H3
InChIKeyHQAWSOMIIPHQCS-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds5

About (5-hydroxy-3-methylpentan-2-yl) formate

(5-hydroxy-3-methylpentan-2-yl) formate (PubChem CID 141091894) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (5-hydroxy-3-methylpentan-2-yl) formate.

Molecular Properties

Compound Name(5-hydroxy-3-methylpentan-2-yl) formate
PubChem CID141091894
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(5-hydroxy-3-methylpentan-2-yl) formate
SMILESCC(CCO)C(C)OC=O
InChIInChI=1S/C7H14O3/c1-6(3-4-8)7(2)10-5-9/h5-8H,3-4H2,1-2H3
InChIKeyHQAWSOMIIPHQCS-UHFFFAOYSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutan-2-yloxy)propan-2-yl formate
CID 158947423
3-methylbutyl 4-formyloxy-3-methylpentanoate
CID 57250231
1-hydroxypropan-2-yl formate
CID 22152793
(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 101465372
5-hydroxy-2-(1-hydroxypropan-2-yl)-3-methylpentanal
CID 123494495
formyl chloride;3-methylbutan-1-ol
CID 88598720
4,4-diamino-3-methylbutan-1-ol
CID 87068765
4-formyloxypentan-2-yl formate
CID 123880614
methyl (E,4S,5S)-7-hydroxy-4,5-dimethylhept-2-enoate
CID 5325248
(3-acetyl-5-methylheptan-2-yl) formate
CID 121474626
[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] formate
CID 89296265
(2S,3R)-2,5-dihydroxy-3-methylpentanoic acid
CID 55300753

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methylpentan-2-yl) formate?
The IUPAC name of (5-hydroxy-3-methylpentan-2-yl) formate (CID 141091894) is (5-hydroxy-3-methylpentan-2-yl) formate.
What is the SMILES notation for (5-hydroxy-3-methylpentan-2-yl) formate?
The canonical SMILES for (5-hydroxy-3-methylpentan-2-yl) formate is CC(CCO)C(C)OC=O.
What is the InChIKey of (5-hydroxy-3-methylpentan-2-yl) formate?
The InChIKey is HQAWSOMIIPHQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(3-4-8)7(2)10-5-9/h5-8H,3-4H2,1-2H3.
What are the key properties of (5-hydroxy-3-methylpentan-2-yl) formate?
(5-hydroxy-3-methylpentan-2-yl) formate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methylpentan-2-yl) formate is sourced from PubChem (CID 141091894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).