2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene

C26H38 — CID 18705425

IUPAC2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene
SMILESCC1=C(CCC2=C(C)CC3=C2C(C)(C)CCC3)C2=C(CCCC2(C)C)C1
InChIInChI=1S/C26H38/c1-17-15-19-9-7-13-25(3,4)23(19)21(17)11-12-22-18(2)16-20-10-8-14-26(5,6)24(20)22/h7-16H2,1-6H3
InChIKeyQTXIWEZDMVXEQP-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.22
Rot. Bonds3

About 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene

2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene (PubChem CID 18705425) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene
PubChem CID18705425
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene
SMILESCC1=C(CCC2=C(C)CC3=C2C(C)(C)CCC3)C2=C(CCCC2(C)C)C1
InChIInChI=1S/C26H38/c1-17-15-19-9-7-13-25(3,4)23(19)21(17)11-12-22-18(2)16-20-10-8-14-26(5,6)24(20)22/h7-16H2,1-6H3
InChIKeyQTXIWEZDMVXEQP-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
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5,5-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one
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(2,6,6-trimethylcyclohexen-1-yl)methanamine;hydrochloride
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CID 143002875
4,4-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
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(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-1-ol
CID 11042317
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2,4,4-trimethyl-5,6,7,8-tetrahydro-1H-azulene
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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene?
The IUPAC name of 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene (CID 18705425) is 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene.
What is the SMILES notation for 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene?
The canonical SMILES for 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene is CC1=C(CCC2=C(C)CC3=C2C(C)(C)CCC3)C2=C(CCCC2(C)C)C1.
What is the InChIKey of 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene?
The InChIKey is QTXIWEZDMVXEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38/c1-17-15-19-9-7-13-25(3,4)23(19)21(17)11-12-22-18(2)16-20-10-8-14-26(5,6)24(20)22/h7-16H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene?
2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene has a molecular weight of 350.59 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-[2-(2,7,7-trimethyl-3,4,5,6-tetrahydroinden-1-yl)ethyl]-1,5,6,7-tetrahydroindene is sourced from PubChem (CID 18705425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).