CID 58104735

C7H14O — CID 58104735

IUPAC—
SMILES[CH]OCC(C)(C)CC
InChIInChI=1S/C7H14O/c1-5-7(2,3)6-8-4/h4H,5-6H2,1-3H3
InChIKeyHAKSQWLGSPBQNT-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.11
Rot. Bonds3

About CID 58104735

CID 58104735 (PubChem CID 58104735) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol.

Molecular Properties

Compound NameCID 58104735
PubChem CID58104735
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name—
SMILES[CH]OCC(C)(C)CC
InChIInChI=1S/C7H14O/c1-5-7(2,3)6-8-4/h4H,5-6H2,1-3H3
InChIKeyHAKSQWLGSPBQNT-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58104735?
The IUPAC name of CID 58104735 (CID 58104735) is not available.
What is the SMILES notation for CID 58104735?
The canonical SMILES for CID 58104735 is [CH]OCC(C)(C)CC.
What is the InChIKey of CID 58104735?
The InChIKey is HAKSQWLGSPBQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-5-7(2,3)6-8-4/h4H,5-6H2,1-3H3.
What are the key properties of CID 58104735?
CID 58104735 has a molecular weight of 114.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58104735 is sourced from PubChem (CID 58104735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).