1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol

C19H28O2 — CID 10085530

IUPAC1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
SMILESCc1c(C)c2c(c(C)c1O)CC1C(C)(C)CCCC1(C)O2
InChIInChI=1S/C19H28O2/c1-11-12(2)17-14(13(3)16(11)20)10-15-18(4,5)8-7-9-19(15,6)21-17/h15,20H,7-10H2,1-6H3
InChIKeyJUQKFPVJBHOWEY-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.84
Rot. Bonds

About 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol

1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol (PubChem CID 10085530) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol.

Molecular Properties

Compound Name1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
PubChem CID10085530
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
SMILESCc1c(C)c2c(c(C)c1O)CC1C(C)(C)CCCC1(C)O2
InChIInChI=1S/C19H28O2/c1-11-12(2)17-14(13(3)16(11)20)10-15-18(4,5)8-7-9-19(15,6)21-17/h15,20H,7-10H2,1-6H3
InChIKeyJUQKFPVJBHOWEY-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-(2,2-dimethylpropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
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1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
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2,5,7,8-tetramethyl-2-(piperidin-1-ylmethyl)-3,4-dihydrochromen-6-ol
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(5aR,9aR)-5a,9,9-trimethyl-7,8,9a,10-tetrahydro-6H-[1,3]dioxolo[4,5-b]xanthene
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Frequently Asked Questions

What is the IUPAC name of 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol?
The IUPAC name of 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol (CID 10085530) is 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol.
What is the SMILES notation for 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol?
The canonical SMILES for 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol is Cc1c(C)c2c(c(C)c1O)CC1C(C)(C)CCCC1(C)O2.
What is the InChIKey of 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol?
The InChIKey is JUQKFPVJBHOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-11-12(2)17-14(13(3)16(11)20)10-15-18(4,5)8-7-9-19(15,6)21-17/h15,20H,7-10H2,1-6H3.
What are the key properties of 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol?
1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol has a molecular weight of 288.43 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,8,8,10a-hexamethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol is sourced from PubChem (CID 10085530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).