3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene

C29H50 — CID 142221652

IUPAC3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene
SMILESCCCCCC(C)CCCC(C)CCCC1(C)CCc2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C29H50/c1-8-9-10-13-22(2)14-11-15-23(3)16-12-18-29(7)19-17-27-25(5)20-24(4)26(6)28(27)21-29/h20,22-23H,8-19,21H2,1-7H3
InChIKeyFNOVXMNENITGEB-UHFFFAOYSA-N
MW398.72 g/mol
LogP9.30
Rot. Bonds12

About 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene

3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene (PubChem CID 142221652) has the molecular formula C29H50 and a molecular weight of 398.72 g/mol. Its IUPAC name is 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene
PubChem CID142221652
Molecular FormulaC29H50
Molecular Weight398.72 g/mol
Exact Mass398.39
IUPAC Name3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene
SMILESCCCCCC(C)CCCC(C)CCCC1(C)CCc2c(C)cc(C)c(C)c2C1
InChIInChI=1S/C29H50/c1-8-9-10-13-22(2)14-11-15-23(3)16-12-18-29(7)19-17-27-25(5)20-24(4)26(6)28(27)21-29/h20,22-23H,8-19,21H2,1-7H3
InChIKeyFNOVXMNENITGEB-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1,3,4,6-tetramethyl-6-(4,8,12-trimethyltridecyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 78020024
2-(4,8-dimethyldodecyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
CID 20758468
azanide;dichloroplatinum(2+);2-[[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]oxy]acetic acid;2-[[2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetic acid
CID 140653495
(2R)-2,8-dimethyl-5-octylselanyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
CID 122215527
6-[7-[2-(4,8-dimethyltridecyl)-2,5,7-trimethyl-3,4-dihydrochromen-6-yl]heptyl]-1-pyridin-2-ylpyridin-2-one
CID 178081616
2-(4,8-dimethylundecyl)-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-6-ol
CID 171761795
6,10-dimethyloctadecane
CID 86144179
10,14,18-trimethyldotriacontane
CID 86017574
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
15,19-dimethylpentatriacontane
CID 521781

Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene (CID 142221652) is 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene is CCCCCC(C)CCCC(C)CCCC1(C)CCc2c(C)cc(C)c(C)c2C1.
What is the InChIKey of 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene?
The InChIKey is FNOVXMNENITGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50/c1-8-9-10-13-22(2)14-11-15-23(3)16-12-18-29(7)19-17-27-25(5)20-24(4)26(6)28(27)21-29/h20,22-23H,8-19,21H2,1-7H3.
What are the key properties of 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene?
3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene has a molecular weight of 398.72 g/mol, XLogP of 9.30, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethyltridecyl)-3,5,6,8-tetramethyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 142221652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).