bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)

C74H148 — CID 161375940

IUPACbis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
SMILESC1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C9H16.4C8H14.6C4H10/c2*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-5-2-6-8(7)4-1;6*1-4(2)3/h2*8-9H,1-7H2;4*7-8H,1-6H2;6*4H,1-3H3
InChIKeyVRBSUDODAKHSOH-UHFFFAOYSA-N
MW1038.00 g/mol
LogP26.27
Rot. Bonds

About bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)

bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) (PubChem CID 161375940) has the molecular formula C74H148 and a molecular weight of 1038.00 g/mol. Its IUPAC name is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane).

Molecular Properties

Compound Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
PubChem CID161375940
Molecular FormulaC74H148
Molecular Weight1038.00 g/mol
Exact Mass1037.16
IUPAC Namebis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
SMILESC1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C9H16.4C8H14.6C4H10/c2*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-5-2-6-8(7)4-1;6*1-4(2)3/h2*8-9H,1-7H2;4*7-8H,1-6H2;6*4H,1-3H3
InChIKeyVRBSUDODAKHSOH-UHFFFAOYSA-N
XLogP26.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.00
LogP ≤ 526.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) with MolForge

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Related Compounds

1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1,2,3,3a,4,5,6,6a-octahydropentalene;cyclopentane;ethane
CID 161297906
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;λ2-plumbane
CID 173135911
CID 175877016
CID 175877016
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)?
The IUPAC name of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) (CID 161375940) is bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane).
What is the SMILES notation for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)?
The canonical SMILES for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) is C1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CC2CCCC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)?
The InChIKey is VRBSUDODAKHSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16.4C8H14.6C4H10/c2*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-5-2-6-8(7)4-1;6*1-4(2)3/h2*8-9H,1-7H2;4*7-8H,1-6H2;6*4H,1-3H3.
What are the key properties of bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)?
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) has a molecular weight of 1038.00 g/mol, XLogP of 26.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane) is sourced from PubChem (CID 161375940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).