(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene

C18H26O — CID 14177989

IUPAC(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILESC[C@@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@@H](C)COC3
InChIInChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyONKNPOPIGWHAQC-NWDGAFQWSA-N
MW258.40 g/mol
LogP4.53
Rot. Bonds

About (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene

(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (PubChem CID 14177989) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.

Molecular Properties

Compound Name(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
PubChem CID14177989
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
SMILESC[C@@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@@H](C)COC3
InChIInChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1
InChIKeyONKNPOPIGWHAQC-NWDGAFQWSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The IUPAC name of (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene (CID 14177989) is (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene.
What is the SMILES notation for (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The canonical SMILES for (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene is C[C@@H]1C(C)(C)c2cc3c(cc2C1(C)C)[C@@H](C)COC3.
What is the InChIKey of (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
The InChIKey is ONKNPOPIGWHAQC-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene?
(4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene has a molecular weight of 258.40 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene is sourced from PubChem (CID 14177989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).