ethane;methane;propan-2-ylcyclohexane

C12H28 — CID 169430642

IUPACethane;methane;propan-2-ylcyclohexane
SMILESC.CC.CC(C)C1CCCCC1
InChIInChI=1S/C9H18.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2;/h8-9H,3-7H2,1-2H3;1-2H3;1H4
InChIKeyVLYYKHFTZGDUOE-UHFFFAOYSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds1

About ethane;methane;propan-2-ylcyclohexane

ethane;methane;propan-2-ylcyclohexane (PubChem CID 169430642) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is ethane;methane;propan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;methane;propan-2-ylcyclohexane
PubChem CID169430642
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Nameethane;methane;propan-2-ylcyclohexane
SMILESC.CC.CC(C)C1CCCCC1
InChIInChI=1S/C9H18.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2;/h8-9H,3-7H2,1-2H3;1-2H3;1H4
InChIKeyVLYYKHFTZGDUOE-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;propan-2-ylcyclohexane?
The IUPAC name of ethane;methane;propan-2-ylcyclohexane (CID 169430642) is ethane;methane;propan-2-ylcyclohexane.
What is the SMILES notation for ethane;methane;propan-2-ylcyclohexane?
The canonical SMILES for ethane;methane;propan-2-ylcyclohexane is C.CC.CC(C)C1CCCCC1.
What is the InChIKey of ethane;methane;propan-2-ylcyclohexane?
The InChIKey is VLYYKHFTZGDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C2H6.CH4/c1-8(2)9-6-4-3-5-7-9;1-2;/h8-9H,3-7H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;propan-2-ylcyclohexane?
ethane;methane;propan-2-ylcyclohexane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;propan-2-ylcyclohexane is sourced from PubChem (CID 169430642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).