1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one

C18H24O — CID 70485827

IUPAC1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one
SMILESCC1CC(=O)Cc2cc3c(cc21)C(C)(C)CC3(C)C
InChIInChI=1S/C18H24O/c1-11-6-13(19)7-12-8-15-16(9-14(11)12)18(4,5)10-17(15,2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyRKICEXAMPMOWBS-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.26
Rot. Bonds

About 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one

1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one (PubChem CID 70485827) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one.

Molecular Properties

Compound Name1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one
PubChem CID70485827
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one
SMILESCC1CC(=O)Cc2cc3c(cc21)C(C)(C)CC3(C)C
InChIInChI=1S/C18H24O/c1-11-6-13(19)7-12-8-15-16(9-14(11)12)18(4,5)10-17(15,2)3/h8-9,11H,6-7,10H2,1-5H3
InChIKeyRKICEXAMPMOWBS-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one?
The IUPAC name of 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one (CID 70485827) is 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one.
What is the SMILES notation for 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one?
The canonical SMILES for 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one is CC1CC(=O)Cc2cc3c(cc21)C(C)(C)CC3(C)C.
What is the InChIKey of 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one?
The InChIKey is RKICEXAMPMOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-11-6-13(19)7-12-8-15-16(9-14(11)12)18(4,5)10-17(15,2)3/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one?
1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one has a molecular weight of 256.39 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,8-pentamethyl-2,5,7,8-tetrahydrocyclopenta[b]naphthalen-6-one is sourced from PubChem (CID 70485827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).