ethane;methanethiol;bis(methylcyclopentane);propane

C18H42S — CID 162283921

IUPACethane;methanethiol;bis(methylcyclopentane);propane
SMILESCC.CC1CCCC1.CC1CCCC1.CCC.CS
InChIInChI=1S/2C6H12.C3H8.C2H6.CH4S/c2*1-6-4-2-3-5-6;1-3-2;2*1-2/h2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;2H,1H3
InChIKeyWIHNJWSXSBKPLU-UHFFFAOYSA-N
MW290.60 g/mol
LogP7.38
Rot. Bonds

About ethane;methanethiol;bis(methylcyclopentane);propane

ethane;methanethiol;bis(methylcyclopentane);propane (PubChem CID 162283921) has the molecular formula C18H42S and a molecular weight of 290.60 g/mol. Its IUPAC name is ethane;methanethiol;bis(methylcyclopentane);propane.

Molecular Properties

Compound Nameethane;methanethiol;bis(methylcyclopentane);propane
PubChem CID162283921
Molecular FormulaC18H42S
Molecular Weight290.60 g/mol
Exact Mass290.30
IUPAC Nameethane;methanethiol;bis(methylcyclopentane);propane
SMILESCC.CC1CCCC1.CC1CCCC1.CCC.CS
InChIInChI=1S/2C6H12.C3H8.C2H6.CH4S/c2*1-6-4-2-3-5-6;1-3-2;2*1-2/h2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;2H,1H3
InChIKeyWIHNJWSXSBKPLU-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.60
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methanethiol;bis(methylcyclopentane);propane?
The IUPAC name of ethane;methanethiol;bis(methylcyclopentane);propane (CID 162283921) is ethane;methanethiol;bis(methylcyclopentane);propane.
What is the SMILES notation for ethane;methanethiol;bis(methylcyclopentane);propane?
The canonical SMILES for ethane;methanethiol;bis(methylcyclopentane);propane is CC.CC1CCCC1.CC1CCCC1.CCC.CS.
What is the InChIKey of ethane;methanethiol;bis(methylcyclopentane);propane?
The InChIKey is WIHNJWSXSBKPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.C3H8.C2H6.CH4S/c2*1-6-4-2-3-5-6;1-3-2;2*1-2/h2*6H,2-5H2,1H3;3H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanethiol;bis(methylcyclopentane);propane?
ethane;methanethiol;bis(methylcyclopentane);propane has a molecular weight of 290.60 g/mol, XLogP of 7.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanethiol;bis(methylcyclopentane);propane is sourced from PubChem (CID 162283921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).