1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

C15H28 — CID 606283

IUPAC1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCC1CCC2C(C)(C)CCCC2(C)C1C
InChIInChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3
InChIKeyCVRSZZJUWRLRDE-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds

About 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 606283) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID606283
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCC1CCC2C(C)(C)CCCC2(C)C1C
InChIInChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3
InChIKeyCVRSZZJUWRLRDE-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 606283) is 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is CC1CCC2C(C)(C)CCCC2(C)C1C.
What is the InChIKey of 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is CVRSZZJUWRLRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3.
What are the key properties of 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene?
1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 606283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).