(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene

C27H40O — CID 151749731

IUPAC(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene
SMILESCCCCCCCCC(C(C)(C)C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O/c1-6-7-8-9-10-17-22-25(26(2,3)4)27(28-5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,6-10,17,22H2,1-5H3
InChIKeyROGOZIHNXMQIHY-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.99
Rot. Bonds11

About (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene

(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene (PubChem CID 151749731) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene.

Molecular Properties

Compound Name(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene
PubChem CID151749731
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene
SMILESCCCCCCCCC(C(C)(C)C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O/c1-6-7-8-9-10-17-22-25(26(2,3)4)27(28-5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,6-10,17,22H2,1-5H3
InChIKeyROGOZIHNXMQIHY-UHFFFAOYSA-N
XLogP7.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-2-methyl-1-phenyldecyl)benzene
CID 158531120
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
[3-tert-butyl-2-(3-tert-butyl-2-phenylheptan-2-yl)peroxyheptan-2-yl]benzene
CID 141102212
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
tert-butylbenzene;hexane
CID 175254424
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
2-methyl-2-phenylnonan-3-amine
CID 63420123
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene?
The IUPAC name of (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene (CID 151749731) is (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene.
What is the SMILES notation for (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene?
The canonical SMILES for (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene is CCCCCCCCC(C(C)(C)C)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene?
The InChIKey is ROGOZIHNXMQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-6-7-8-9-10-17-22-25(26(2,3)4)27(28-5,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,6-10,17,22H2,1-5H3.
What are the key properties of (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene?
(2-tert-butyl-1-methoxy-1-phenyldecyl)benzene has a molecular weight of 380.62 g/mol, XLogP of 7.99, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-methoxy-1-phenyldecyl)benzene is sourced from PubChem (CID 151749731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).