(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene

C31H54 — CID 58937808

IUPAC(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene
SMILESCc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2
InChIInChI=1S/C31H54/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-19-31(9)20-18-29-27(7)25(5)26(6)28(8)30(29)21-31/h22-24H,10-21H2,1-9H3/t23-,24-,31-/m1/s1
InChIKeyMFGLXMOTYGXUOQ-OVMXQCPESA-N
MW426.77 g/mol
LogP9.85
Rot. Bonds12

About (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene

(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene (PubChem CID 58937808) has the molecular formula C31H54 and a molecular weight of 426.77 g/mol. Its IUPAC name is (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene
PubChem CID58937808
Molecular FormulaC31H54
Molecular Weight426.77 g/mol
Exact Mass426.42
IUPAC Name(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene
SMILESCc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2
InChIInChI=1S/C31H54/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-19-31(9)20-18-29-27(7)25(5)26(6)28(8)30(29)21-31/h22-24H,10-21H2,1-9H3/t23-,24-,31-/m1/s1
InChIKeyMFGLXMOTYGXUOQ-OVMXQCPESA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.77
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 78020024
3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene
CID 142221652
3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-2,4-dihydrochromen-7-ol
CID 15166479
(3R)-3,5,7,8-tetramethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-1,4-dihydroisochromen-6-ol
CID 171350398
methane;2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 158950682
(2S)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol;hydrochloride
CID 141451505
calcium;hydride;(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 173034485
(NE)-N-[[(2R)-2,6,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-yl]methylidene]hydroxylamine
CID 172971114
(2R)-2,8-dimethyl-5,7-di(propan-2-yl)-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 15929268
(2R)-5-[2-[(2R)-6-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-5-yl]ethyl]-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 13343559
(2R)-2,5,7,8-tetramethyl-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
CID 11992150
5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromene-2,6-diol
CID 59283316

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene?
The IUPAC name of (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene (CID 58937808) is (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene?
The canonical SMILES for (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene is Cc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2.
What is the InChIKey of (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene?
The InChIKey is MFGLXMOTYGXUOQ-OVMXQCPESA-N. The full InChI is InChI=1S/C31H54/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-19-31(9)20-18-29-27(7)25(5)26(6)28(8)30(29)21-31/h22-24H,10-21H2,1-9H3/t23-,24-,31-/m1/s1.
What are the key properties of (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene?
(3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene has a molecular weight of 426.77 g/mol, XLogP of 9.85, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,6,7,8-pentamethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 58937808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).