1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C37H56 — CID 136651258

IUPAC1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C1C(C2CCCC3CCCCC32)=CC(C2CCCC3CCCCC32)C=C1C1CCCC2CCCCC21
InChIInChI=1S/C37H56/c1-25-36(34-21-9-15-27-12-3-6-18-31(27)34)23-29(33-20-8-14-26-11-2-5-17-30(26)33)24-37(25)35-22-10-16-28-13-4-7-19-32(28)35/h23-24,26-35H,1-22H2
InChIKeyKHIYXGUUAIECLZ-UHFFFAOYSA-N
MW500.86 g/mol
LogP10.84
Rot. Bonds3

About 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 136651258) has the molecular formula C37H56 and a molecular weight of 500.86 g/mol. Its IUPAC name is 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID136651258
Molecular FormulaC37H56
Molecular Weight500.86 g/mol
Exact Mass500.44
IUPAC Name1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C1C(C2CCCC3CCCCC32)=CC(C2CCCC3CCCCC32)C=C1C1CCCC2CCCCC21
InChIInChI=1S/C37H56/c1-25-36(34-21-9-15-27-12-3-6-18-31(27)34)23-29(33-20-8-14-26-11-2-5-17-30(26)33)24-37(25)35-22-10-16-28-13-4-7-19-32(28)35/h23-24,26-35H,1-22H2
InChIKeyKHIYXGUUAIECLZ-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 136651258) is 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=C1C(C2CCCC3CCCCC32)=CC(C2CCCC3CCCCC32)C=C1C1CCCC2CCCCC21.
What is the InChIKey of 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is KHIYXGUUAIECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56/c1-25-36(34-21-9-15-27-12-3-6-18-31(27)34)23-29(33-20-8-14-26-11-2-5-17-30(26)33)24-37(25)35-22-10-16-28-13-4-7-19-32(28)35/h23-24,26-35H,1-22H2.
What are the key properties of 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 500.86 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-4-methylidenecyclohexa-2,5-dien-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 136651258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).