CID 59269514

C10H20O2 — CID 59269514

IUPAC—
SMILES[CH]C(COCCC)COCCC
InChIInChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3,10H,4-9H2,1-2H3
InChIKeyMPTYMKHJJLNIKX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.17
Rot. Bonds8

About CID 59269514

CID 59269514 (PubChem CID 59269514) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol.

Molecular Properties

Compound NameCID 59269514
PubChem CID59269514
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name—
SMILES[CH]C(COCCC)COCCC
InChIInChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3,10H,4-9H2,1-2H3
InChIKeyMPTYMKHJJLNIKX-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 59269731
CID 59269731
1-propoxypent-4-yn-2-ylhydrazine
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2,3,4-trimethyl-1-propoxypentane
CID 121286105
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431
methylidyne(propoxymethyl)azanium
CID 91560858
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
3-methyl-1-propoxypentan-2-amine
CID 79446501
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
ethane;propane;1-propoxypropane
CID 143757970

Frequently Asked Questions

What is the IUPAC name of CID 59269514?
The IUPAC name of CID 59269514 (CID 59269514) is not available.
What is the SMILES notation for CID 59269514?
The canonical SMILES for CID 59269514 is [CH]C(COCCC)COCCC.
What is the InChIKey of CID 59269514?
The InChIKey is MPTYMKHJJLNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-11-8-10(3)9-12-7-5-2/h3,10H,4-9H2,1-2H3.
What are the key properties of CID 59269514?
CID 59269514 has a molecular weight of 172.27 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269514 is sourced from PubChem (CID 59269514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).