CID 57418033

C8H15 — CID 57418033

IUPAC—
SMILES[CH2]CC1CCCCC1
InChIInChI=1S/C8H15/c1-2-8-6-4-3-5-7-8/h8H,1-7H2
InChIKeyBFQQLGQRALUTBR-UHFFFAOYSA-N
MW111.21 g/mol
LogP2.79
Rot. Bonds1

About CID 57418033

CID 57418033 (PubChem CID 57418033) has the molecular formula C8H15 and a molecular weight of 111.21 g/mol.

Molecular Properties

Compound NameCID 57418033
PubChem CID57418033
Molecular FormulaC8H15
Molecular Weight111.21 g/mol
Exact Mass111.12
IUPAC Name—
SMILES[CH2]CC1CCCCC1
InChIInChI=1S/C8H15/c1-2-8-6-4-3-5-7-8/h8H,1-7H2
InChIKeyBFQQLGQRALUTBR-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Methylcyclohexane
CID 7962
Butylcyclohexane
CID 15506
Ethylcyclohexane
CID 15504
Pentylcyclohexane
CID 20284
Propylcyclohexane
CID 15505
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712
Heptylcyclohexane
CID 21832
Isobutylcyclohexane
CID 15508
Nonylcyclohexane
CID 17900
(2H14)Methylcyclohexane
CID 524602
(3-Methylpentyl)cyclohexane
CID 557854

Frequently Asked Questions

What is the IUPAC name of CID 57418033?
The IUPAC name of CID 57418033 (CID 57418033) is not available.
What is the SMILES notation for CID 57418033?
The canonical SMILES for CID 57418033 is [CH2]CC1CCCCC1.
What is the InChIKey of CID 57418033?
The InChIKey is BFQQLGQRALUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15/c1-2-8-6-4-3-5-7-8/h8H,1-7H2.
What are the key properties of CID 57418033?
CID 57418033 has a molecular weight of 111.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57418033 is sourced from PubChem (CID 57418033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).