CID 58450372

C8H14O2 — CID 58450372

IUPAC—
SMILES[CH]OCC1(C)CCOCC1
InChIInChI=1S/C8H14O2/c1-8(7-9-2)3-5-10-6-4-8/h2H,3-7H2,1H3
InChIKeyVZVUJQUQSVHZPL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.49
Rot. Bonds2

About CID 58450372

CID 58450372 (PubChem CID 58450372) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol.

Molecular Properties

Compound NameCID 58450372
PubChem CID58450372
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name—
SMILES[CH]OCC1(C)CCOCC1
InChIInChI=1S/C8H14O2/c1-8(7-9-2)3-5-10-6-4-8/h2H,3-7H2,1H3
InChIKeyVZVUJQUQSVHZPL-UHFFFAOYSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(bromomethyl)-4-methyloxane
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sodium (4-methyloxan-4-yl)methanesulfinate
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1-(2,2-dimethylpropyl)-1-methylcyclopropane;4-(2,2-dimethylpropyl)-4-methyloxane
CID 157115340
4-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-methyloxane
CID 145466790
2-(4-methyloxan-4-yl)acetamide
CID 137499101
3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603129
ethane;4-ethoxy-4-methyloxane
CID 143599120
(3-methyloxolan-3-yl)methanethiol
CID 155973621
N-[(4-methyloxan-4-yl)methyl]heptan-4-amine
CID 115893009
4-[(4-methyloxan-4-yl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075865
3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
CID 177177757

Frequently Asked Questions

What is the IUPAC name of CID 58450372?
The IUPAC name of CID 58450372 (CID 58450372) is not available.
What is the SMILES notation for CID 58450372?
The canonical SMILES for CID 58450372 is [CH]OCC1(C)CCOCC1.
What is the InChIKey of CID 58450372?
The InChIKey is VZVUJQUQSVHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(7-9-2)3-5-10-6-4-8/h2H,3-7H2,1H3.
What are the key properties of CID 58450372?
CID 58450372 has a molecular weight of 142.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450372 is sourced from PubChem (CID 58450372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).