2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]

C25H28 — CID 640520

IUPAC2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]
SMILESc1c2c(cc3c1CC1(C3)Cc3cc4c(cc3C1)CCCC4)CCCC2
InChIInChI=1S/C25H28/c1-2-6-18-10-22-14-25(13-21(22)9-17(18)5-1)15-23-11-19-7-3-4-8-20(19)12-24(23)16-25/h9-12H,1-8,13-16H2
InChIKeyDQDOPPINRMVDKX-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.33
Rot. Bonds

About 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]

2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] (PubChem CID 640520) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene].

Molecular Properties

Compound Name2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]
PubChem CID640520
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]
SMILESc1c2c(cc3c1CC1(C3)Cc3cc4c(cc3C1)CCCC4)CCCC2
InChIInChI=1S/C25H28/c1-2-6-18-10-22-14-25(13-21(22)9-17(18)5-1)15-23-11-19-7-3-4-8-20(19)12-24(23)16-25/h9-12H,1-8,13-16H2
InChIKeyDQDOPPINRMVDKX-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] with MolForge

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Related Compounds

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CID 139940214
1,1,3,3-tetramethyl-5,6,7,8-tetrahydro-2H-cyclopenta[b]naphthalene
CID 139783545
pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene
CID 145429604
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240
N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
CID 54041165
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
methane;1,2,3,4-tetrahydroanthracene
CID 158805495
(1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-5-yl)methanol
CID 167048183
2,3-dihydro-1H-indene-5,6-diol
CID 13058959

Frequently Asked Questions

What is the IUPAC name of 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]?
The IUPAC name of 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] (CID 640520) is 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene].
What is the SMILES notation for 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]?
The canonical SMILES for 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] is c1c2c(cc3c1CC1(C3)Cc3cc4c(cc3C1)CCCC4)CCCC2.
What is the InChIKey of 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]?
The InChIKey is DQDOPPINRMVDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-2-6-18-10-22-14-25(13-21(22)9-17(18)5-1)15-23-11-19-7-3-4-8-20(19)12-24(23)16-25/h9-12H,1-8,13-16H2.
What are the key properties of 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]?
2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] has a molecular weight of 328.50 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene] is sourced from PubChem (CID 640520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).