5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]

C18H20 — CID 143183690

IUPAC5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]
SMILESCc1ccc2c(c1)C1(CCC3=CCCC=C31)CC2
InChIInChI=1S/C18H20/c1-13-6-7-15-9-11-18(17(15)12-13)10-8-14-4-2-3-5-16(14)18/h4-7,12H,2-3,8-11H2,1H3
InChIKeyHDVVVXXOEAOQLH-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.62
Rot. Bonds

About 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]

5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene] (PubChem CID 143183690) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene].

Molecular Properties

Compound Name5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]
PubChem CID143183690
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]
SMILESCc1ccc2c(c1)C1(CCC3=CCCC=C31)CC2
InChIInChI=1S/C18H20/c1-13-6-7-15-9-11-18(17(15)12-13)10-8-14-4-2-3-5-16(14)18/h4-7,12H,2-3,8-11H2,1H3
InChIKeyHDVVVXXOEAOQLH-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]?
The IUPAC name of 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene] (CID 143183690) is 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene].
What is the SMILES notation for 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]?
The canonical SMILES for 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene] is Cc1ccc2c(c1)C1(CCC3=CCCC=C31)CC2.
What is the InChIKey of 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]?
The InChIKey is HDVVVXXOEAOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-13-6-7-15-9-11-18(17(15)12-13)10-8-14-4-2-3-5-16(14)18/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]?
5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene] has a molecular weight of 236.36 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene] is sourced from PubChem (CID 143183690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).