4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten

C18H32W4 — CID 158615083

IUPAC4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten
SMILESCC.CC(C)(C)C1=C2CCCC2=C(C(C)(C)C)C1.[W].[W].[W].[W]
InChIInChI=1S/C16H26.C2H6.4W/c1-15(2,3)13-10-14(16(4,5)6)12-9-7-8-11(12)13;1-2;;;;/h7-10H2,1-6H3;1-2H3;;;;
InChIKeyHXHGOUVHBWFTJK-UHFFFAOYSA-N
MW983.81 g/mol
LogP6.28
Rot. Bonds

About 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten

4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten (PubChem CID 158615083) has the molecular formula C18H32W4 and a molecular weight of 983.81 g/mol. Its IUPAC name is 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten.

Molecular Properties

Compound Name4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten
PubChem CID158615083
Molecular FormulaC18H32W4
Molecular Weight983.81 g/mol
Exact Mass984.05
IUPAC Name4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten
SMILESCC.CC(C)(C)C1=C2CCCC2=C(C(C)(C)C)C1.[W].[W].[W].[W]
InChIInChI=1S/C16H26.C2H6.4W/c1-15(2,3)13-10-14(16(4,5)6)12-9-7-8-11(12)13;1-2;;;;/h7-10H2,1-6H3;1-2H3;;;;
InChIKeyHXHGOUVHBWFTJK-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.81
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetratert-butylcyclopenta-1,3-diene
CID 19880755
5,7-ditert-butylspiro[4,6-dihydro-3H-cyclopenta[b]pyran-2,1'-cyclopentane]
CID 118461515
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
4,6-ditert-butyl-2,8-dioxatricyclo[7.4.0.03,7]trideca-3,6-diene
CID 118477847
3,4-ditert-butyl-2H-oxete
CID 176758268
5,6-ditert-butyl-1-methyl-2,3,4,7-tetrahydroazepine
CID 23402540
4,6-ditert-butyl-2-methyl-1,2,3,5-tetrahydropentalene;tris(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclobutane]);pentakis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopentane]);bis(4,7-ditert-butylspiro[1,3-dihydroindene-2,1'-cyclopropane]);4,7-ditert-butylspiro[1,3-dihydroindene-2,2'-1,3-dioxolane];ethane;tungsten
CID 159980490
2,3-ditert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene 1-oxide
CID 176866308
4,6-ditert-butyl-1,2,3,3a,5,7a-hexahydrocyclopenta[a]pentalen-7-one
CID 118477846
3-tert-butyl-2-methylcyclopent-2-en-1-one
CID 11084066
4,6-ditert-butylspiro[2,5-dihydropentalene-3,1'-cyclobutane]-1-one
CID 118314308
(1S)-1-(2-tert-butylcyclobuten-1-yl)ethanamine
CID 175621404

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten?
The IUPAC name of 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten (CID 158615083) is 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten.
What is the SMILES notation for 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten?
The canonical SMILES for 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten is CC.CC(C)(C)C1=C2CCCC2=C(C(C)(C)C)C1.[W].[W].[W].[W].
What is the InChIKey of 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten?
The InChIKey is HXHGOUVHBWFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H6.4W/c1-15(2,3)13-10-14(16(4,5)6)12-9-7-8-11(12)13;1-2;;;;/h7-10H2,1-6H3;1-2H3;;;;.
What are the key properties of 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten?
4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten has a molecular weight of 983.81 g/mol, XLogP of 6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-1,2,3,5-tetrahydropentalene;ethane;tungsten is sourced from PubChem (CID 158615083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).