ethane;1,2,3,4,5,8-hexahydroheptalene

C14H22 — CID 143157913

IUPACethane;1,2,3,4,5,8-hexahydroheptalene
SMILESC1=CC2=C(C=CC1)CCCCC2.CC
InChIInChI=1S/C12H16.C2H6/c1-3-7-11-9-5-2-6-10-12(11)8-4-1;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3
InChIKeyLSPVBEAJLXDKEJ-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.79
Rot. Bonds

About ethane;1,2,3,4,5,8-hexahydroheptalene

ethane;1,2,3,4,5,8-hexahydroheptalene (PubChem CID 143157913) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;1,2,3,4,5,8-hexahydroheptalene.

Molecular Properties

Compound Nameethane;1,2,3,4,5,8-hexahydroheptalene
PubChem CID143157913
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameethane;1,2,3,4,5,8-hexahydroheptalene
SMILESC1=CC2=C(C=CC1)CCCCC2.CC
InChIInChI=1S/C12H16.C2H6/c1-3-7-11-9-5-2-6-10-12(11)8-4-1;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3
InChIKeyLSPVBEAJLXDKEJ-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5,8-hexahydroheptalene?
The IUPAC name of ethane;1,2,3,4,5,8-hexahydroheptalene (CID 143157913) is ethane;1,2,3,4,5,8-hexahydroheptalene.
What is the SMILES notation for ethane;1,2,3,4,5,8-hexahydroheptalene?
The canonical SMILES for ethane;1,2,3,4,5,8-hexahydroheptalene is C1=CC2=C(C=CC1)CCCCC2.CC.
What is the InChIKey of ethane;1,2,3,4,5,8-hexahydroheptalene?
The InChIKey is LSPVBEAJLXDKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H6/c1-3-7-11-9-5-2-6-10-12(11)8-4-1;1-2/h3-4,7-8H,1-2,5-6,9-10H2;1-2H3.
What are the key properties of ethane;1,2,3,4,5,8-hexahydroheptalene?
ethane;1,2,3,4,5,8-hexahydroheptalene has a molecular weight of 190.33 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5,8-hexahydroheptalene is sourced from PubChem (CID 143157913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).