CID 57417970

C8H17 — CID 57417970

IUPAC—
SMILESC[C](C)CC(C)(C)C
InChIInChI=1S/C8H17/c1-7(2)6-8(3,4)5/h6H2,1-5H3
InChIKeyGMQHNWRJENVPJA-UHFFFAOYSA-N
MW113.22 g/mol
LogP3.04
Rot. Bonds1

About CID 57417970

CID 57417970 (PubChem CID 57417970) has the molecular formula C8H17 and a molecular weight of 113.22 g/mol.

Molecular Properties

Compound NameCID 57417970
PubChem CID57417970
Molecular FormulaC8H17
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name—
SMILESC[C](C)CC(C)(C)C
InChIInChI=1S/C8H17/c1-7(2)6-8(3,4)5/h6H2,1-5H3
InChIKeyGMQHNWRJENVPJA-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 57417970?
The IUPAC name of CID 57417970 (CID 57417970) is not available.
What is the SMILES notation for CID 57417970?
The canonical SMILES for CID 57417970 is C[C](C)CC(C)(C)C.
What is the InChIKey of CID 57417970?
The InChIKey is GMQHNWRJENVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17/c1-7(2)6-8(3,4)5/h6H2,1-5H3.
What are the key properties of CID 57417970?
CID 57417970 has a molecular weight of 113.22 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417970 is sourced from PubChem (CID 57417970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).