1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol

C30H52O — CID 78020024

IUPAC1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2
InChIInChI=1S/C30H52O/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-26(7)29(31)25(6)24(5)28(27)20-30/h21-23,31H,9-20H2,1-8H3
InChIKeyFPEHLRFQQYVROL-UHFFFAOYSA-N
MW428.75 g/mol
LogP9.25
Rot. Bonds12

About 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol

1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol (PubChem CID 78020024) has the molecular formula C30H52O and a molecular weight of 428.75 g/mol. Its IUPAC name is 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
PubChem CID78020024
Molecular FormulaC30H52O
Molecular Weight428.75 g/mol
Exact Mass428.40
IUPAC Name1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2
InChIInChI=1S/C30H52O/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-26(7)29(31)25(6)24(5)28(27)20-30/h21-23,31H,9-20H2,1-8H3
InChIKeyFPEHLRFQQYVROL-UHFFFAOYSA-N
XLogP9.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene
CID 58937808
(3R)-3,5,7,8-tetramethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,4-dihydroisochromen-6-ol
CID 171350398
3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol
CID 15166479
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
CID 59283316
2,5,7,8-tetramethyl-2-(5,10,14-trimethylpentadecyl)-3,4-dihydrochromen-6-ol
CID 123549807
3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene
CID 142221652
sulfuric acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 175105897
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601
decanedioic acid;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 66664845

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol (CID 78020024) is 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2.
What is the InChIKey of 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol?
The InChIKey is FPEHLRFQQYVROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-26(7)29(31)25(6)24(5)28(27)20-30/h21-23,31H,9-20H2,1-8H3.
What are the key properties of 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol?
1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol has a molecular weight of 428.75 g/mol, XLogP of 9.25, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 78020024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).