(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol

C14H18O2 — CID 11096080

IUPAC(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
SMILESCc1ccc2c(c1)O[C@@]1(C)CC[C@H]1[C@@]2(C)O
InChIInChI=1S/C14H18O2/c1-9-4-5-10-11(8-9)16-13(2)7-6-12(13)14(10,3)15/h4-5,8,12,15H,6-7H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyQBLMBIYYHBQVOI-RDBSUJKOSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds

About (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol

(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol (PubChem CID 11096080) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol.

Molecular Properties

Compound Name(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
PubChem CID11096080
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol
SMILESCc1ccc2c(c1)O[C@@]1(C)CC[C@H]1[C@@]2(C)O
InChIInChI=1S/C14H18O2/c1-9-4-5-10-11(8-9)16-13(2)7-6-12(13)14(10,3)15/h4-5,8,12,15H,6-7H2,1-3H3/t12-,13+,14+/m1/s1
InChIKeyQBLMBIYYHBQVOI-RDBSUJKOSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol?
The IUPAC name of (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol (CID 11096080) is (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol.
What is the SMILES notation for (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol?
The canonical SMILES for (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol is Cc1ccc2c(c1)O[C@@]1(C)CC[C@H]1[C@@]2(C)O.
What is the InChIKey of (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol?
The InChIKey is QBLMBIYYHBQVOI-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-4-5-10-11(8-9)16-13(2)7-6-12(13)14(10,3)15/h4-5,8,12,15H,6-7H2,1-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol?
(2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol has a molecular weight of 218.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2aS,8R,8aS)-2a,5,8-trimethyl-2,8a-dihydro-1H-cyclobuta[b]chromen-8-ol is sourced from PubChem (CID 11096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).