CID 13156488

C7H14O2 — CID 13156488

IUPAC—
SMILES[CH2]OCC(C)(C)CO[CH2]
InChIInChI=1S/C7H14O2/c1-7(2,5-8-3)6-9-4/h3-6H2,1-2H3
InChIKeyFMTYMWHKZBFZQY-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.63
Rot. Bonds4

About CID 13156488

CID 13156488 (PubChem CID 13156488) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol.

Molecular Properties

Compound NameCID 13156488
PubChem CID13156488
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name—
SMILES[CH2]OCC(C)(C)CO[CH2]
InChIInChI=1S/C7H14O2/c1-7(2,5-8-3)6-9-4/h3-6H2,1-2H3
InChIKeyFMTYMWHKZBFZQY-UHFFFAOYSA-N
XLogP1.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 13156488?
The IUPAC name of CID 13156488 (CID 13156488) is not available.
What is the SMILES notation for CID 13156488?
The canonical SMILES for CID 13156488 is [CH2]OCC(C)(C)CO[CH2].
What is the InChIKey of CID 13156488?
The InChIKey is FMTYMWHKZBFZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-7(2,5-8-3)6-9-4/h3-6H2,1-2H3.
What are the key properties of CID 13156488?
CID 13156488 has a molecular weight of 130.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13156488 is sourced from PubChem (CID 13156488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).