3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene

C27H32 — CID 58581351

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
SMILESc1c2c(cc3c1CCC3CC1CCc3cc4c(cc31)CCCC4)CCCC2
InChIInChI=1S/C27H32/c1-3-7-20-16-26-22(13-18(20)5-1)9-11-24(26)15-25-12-10-23-14-19-6-2-4-8-21(19)17-27(23)25/h13-14,16-17,24-25H,1-12,15H2
InChIKeyRFHIUQBSZPVMFM-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.59
Rot. Bonds2

About 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene

3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene (PubChem CID 58581351) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
PubChem CID58581351
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
SMILESc1c2c(cc3c1CCC3CC1CCc3cc4c(cc31)CCCC4)CCCC2
InChIInChI=1S/C27H32/c1-3-7-20-16-26-22(13-18(20)5-1)9-11-24(26)15-25-12-10-23-14-19-6-2-4-8-21(19)17-27(23)25/h13-14,16-17,24-25H,1-12,15H2
InChIKeyRFHIUQBSZPVMFM-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene (CID 58581351) is 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene is c1c2c(cc3c1CCC3CC1CCc3cc4c(cc31)CCCC4)CCCC2.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene?
The InChIKey is RFHIUQBSZPVMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-3-7-20-16-26-22(13-18(20)5-1)9-11-24(26)15-25-12-10-23-14-19-6-2-4-8-21(19)17-27(23)25/h13-14,16-17,24-25H,1-12,15H2.
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene?
3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene has a molecular weight of 356.55 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 58581351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).