ethane;methylcyclooctane;molecular hydrogen

C13H32 — CID 142068181

IUPACethane;methylcyclooctane;molecular hydrogen
SMILESCC.CC.CC1CCCCCCC1.[H][H]
InChIInChI=1S/C9H18.2C2H6.H2/c1-9-7-5-3-2-4-6-8-9;2*1-2;/h9H,2-8H2,1H3;2*1-2H3;1H
InChIKeyZSHXLVRQOJIARN-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.67
Rot. Bonds

About ethane;methylcyclooctane;molecular hydrogen

ethane;methylcyclooctane;molecular hydrogen (PubChem CID 142068181) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is ethane;methylcyclooctane;molecular hydrogen.

Molecular Properties

Compound Nameethane;methylcyclooctane;molecular hydrogen
PubChem CID142068181
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Nameethane;methylcyclooctane;molecular hydrogen
SMILESCC.CC.CC1CCCCCCC1.[H][H]
InChIInChI=1S/C9H18.2C2H6.H2/c1-9-7-5-3-2-4-6-8-9;2*1-2;/h9H,2-8H2,1H3;2*1-2H3;1H
InChIKeyZSHXLVRQOJIARN-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pristane
CID 15979
Squalane
CID 8089
Phytane
CID 12523
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
3-Methylnonane
CID 22202
4-Methylnonane
CID 28455
3,5-Dimethyloctane
CID 139989
3-Methyloctane
CID 16664

Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclooctane;molecular hydrogen?
The IUPAC name of ethane;methylcyclooctane;molecular hydrogen (CID 142068181) is ethane;methylcyclooctane;molecular hydrogen.
What is the SMILES notation for ethane;methylcyclooctane;molecular hydrogen?
The canonical SMILES for ethane;methylcyclooctane;molecular hydrogen is CC.CC.CC1CCCCCCC1.[H][H].
What is the InChIKey of ethane;methylcyclooctane;molecular hydrogen?
The InChIKey is ZSHXLVRQOJIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.2C2H6.H2/c1-9-7-5-3-2-4-6-8-9;2*1-2;/h9H,2-8H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;methylcyclooctane;molecular hydrogen?
ethane;methylcyclooctane;molecular hydrogen has a molecular weight of 188.40 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclooctane;molecular hydrogen is sourced from PubChem (CID 142068181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).