ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene

C18H32 — CID 162283851

IUPACethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC.CC1=C(C)C2C(C)C(C)C(C)C2C(C)=C1C
InChIInChI=1S/C16H26.C2H6/c1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;1-2/h10,13-16H,1-7H3;1-2H3
InChIKeyVFHYUUUBBXJQAM-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.85
Rot. Bonds

About ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene

ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 162283851) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Nameethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID162283851
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC.CC1=C(C)C2C(C)C(C)C(C)C2C(C)=C1C
InChIInChI=1S/C16H26.C2H6/c1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;1-2/h10,13-16H,1-7H3;1-2H3
InChIKeyVFHYUUUBBXJQAM-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-1-[2-[(3S,3aS)-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140598479
1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 123969397
bis(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methylsilane
CID 162285225
carbanide;dichlorotitanium;bis(1-[2-(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene);methane
CID 162271583
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 158383790
1-[2-(5,6-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162269004
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
CID 74765453
carbon monoxide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;rhenium
CID 155885990
2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
CID 155197259
2,2-dimethylpropane;1,2,3,6,7,8-hexamethyl-9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162278753
carbanide;2,4-ditert-butyl-6-[(2,3,4,5,6,7-hexamethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilyl]phenol;titanium(3+)
CID 171770986

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene (CID 162283851) is ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene is CC.CC1=C(C)C2C(C)C(C)C(C)C2C(C)=C1C.
What is the InChIKey of ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is VFHYUUUBBXJQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H6/c1-8-9(2)12(5)16-14(7)10(3)13(6)15(16)11(8)4;1-2/h10,13-16H,1-7H3;1-2H3.
What are the key properties of ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene?
ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 248.45 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5,6,7-heptamethyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 162283851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).