3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]

C21H32 — CID 142950816

IUPAC3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]
SMILESCC1=CC=C2C(CCC3(C)C2CCC32CCCC2)C1(C)C
InChIInChI=1S/C21H32/c1-15-7-8-16-17(19(15,2)3)9-13-20(4)18(16)10-14-21(20)11-5-6-12-21/h7-8,17-18H,5-6,9-14H2,1-4H3
InChIKeyZPJYMWFJKQZENQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.29
Rot. Bonds

About 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]

3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] (PubChem CID 142950816) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane].

Molecular Properties

Compound Name3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]
PubChem CID142950816
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]
SMILESCC1=CC=C2C(CCC3(C)C2CCC32CCCC2)C1(C)C
InChIInChI=1S/C21H32/c1-15-7-8-16-17(19(15,2)3)9-13-20(4)18(16)10-14-21(20)11-5-6-12-21/h7-8,17-18H,5-6,9-14H2,1-4H3
InChIKeyZPJYMWFJKQZENQ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] with MolForge

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Related Compounds

1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
(3S,10R,13S,14S,17R)-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-diol
CID 25208164
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
(10R,13R,17S)-10,13,17-trimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
CID 59966621
2-cyclohexyl-2-methylspiro[2.5]octane;ethane
CID 145105367
(1'S,8'R)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
CID 95564238
(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
CID 98159563
10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
CID 19070755

Frequently Asked Questions

What is the IUPAC name of 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]?
The IUPAC name of 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] (CID 142950816) is 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane].
What is the SMILES notation for 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]?
The canonical SMILES for 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] is CC1=CC=C2C(CCC3(C)C2CCC32CCCC2)C1(C)C.
What is the InChIKey of 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]?
The InChIKey is ZPJYMWFJKQZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-15-7-8-16-17(19(15,2)3)9-13-20(4)18(16)10-14-21(20)11-5-6-12-21/h7-8,17-18H,5-6,9-14H2,1-4H3.
What are the key properties of 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane]?
3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] has a molecular weight of 284.49 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6,6,7-tetramethylspiro[1,2,4,5,5a,9b-hexahydrocyclopenta[a]naphthalene-3,1'-cyclopentane] is sourced from PubChem (CID 142950816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).