CID 59269410

C9H16O — CID 59269410

IUPAC—
SMILES[CH]C(CC)C1CCCOC1
InChIInChI=1S/C9H16O/c1-3-8(2)9-5-4-6-10-7-9/h2,8-9H,3-7H2,1H3
InChIKeyWDNDHZGTZVPEPS-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.15
Rot. Bonds2

About CID 59269410

CID 59269410 (PubChem CID 59269410) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol.

Molecular Properties

Compound NameCID 59269410
PubChem CID59269410
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name—
SMILES[CH]C(CC)C1CCCOC1
InChIInChI=1S/C9H16O/c1-3-8(2)9-5-4-6-10-7-9/h2,8-9H,3-7H2,1H3
InChIKeyWDNDHZGTZVPEPS-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-pentan-3-yloxane
CID 15620798
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
3-(oxan-3-yl)pentan-2-ol
CID 107137335
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
2-(oxan-3-yl)butanoic acid
CID 82411862
3-(oxan-3-yl)pentan-2-one
CID 107135367
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
[3-ethyl-1-(oxan-3-yl)pentyl]hydrazine
CID 105230093
bis(oxan-3-yl)methanamine
CID 107136437
2-(oxan-3-yl)pentan-3-one
CID 107135382

Frequently Asked Questions

What is the IUPAC name of CID 59269410?
The IUPAC name of CID 59269410 (CID 59269410) is not available.
What is the SMILES notation for CID 59269410?
The canonical SMILES for CID 59269410 is [CH]C(CC)C1CCCOC1.
What is the InChIKey of CID 59269410?
The InChIKey is WDNDHZGTZVPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8(2)9-5-4-6-10-7-9/h2,8-9H,3-7H2,1H3.
What are the key properties of CID 59269410?
CID 59269410 has a molecular weight of 140.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269410 is sourced from PubChem (CID 59269410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).