(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C18H28O2 — CID 59125262

IUPAC(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC(C)(C)C)O2
InChIInChI=1S/C18H28O2/c1-11-12(2)16-14(13(3)15(11)19)8-9-18(7,20-16)10-17(4,5)6/h19H,8-10H2,1-7H3/t18-/m0/s1
InChIKeyUHNAYJWWXCHWBS-SFHVURJKSA-N
MW276.42 g/mol
LogP4.84
Rot. Bonds1

About (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 59125262) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID59125262
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC(C)(C)C)O2
InChIInChI=1S/C18H28O2/c1-11-12(2)16-14(13(3)15(11)19)8-9-18(7,20-16)10-17(4,5)6/h19H,8-10H2,1-7H3/t18-/m0/s1
InChIKeyUHNAYJWWXCHWBS-SFHVURJKSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 59125262) is (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC(C)(C)C)O2.
What is the InChIKey of (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is UHNAYJWWXCHWBS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28O2/c1-11-12(2)16-14(13(3)15(11)19)8-9-18(7,20-16)10-17(4,5)6/h19H,8-10H2,1-7H3/t18-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 276.42 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 59125262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).