anthracene;1,1,1-trimethoxyhexadecane

C33H50O3 — CID 161067972

IUPACanthracene;1,1,1-trimethoxyhexadecane
SMILESCCCCCCCCCCCCCCCC(OC)(OC)OC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H40O3.C14H10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2,21-3)22-4;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-18H2,1-4H3;1-10H
InChIKeyUEGZEYDLWVVSNJ-UHFFFAOYSA-N
MW494.76 g/mol
LogP10.05
Rot. Bonds17

About anthracene;1,1,1-trimethoxyhexadecane

anthracene;1,1,1-trimethoxyhexadecane (PubChem CID 161067972) has the molecular formula C33H50O3 and a molecular weight of 494.76 g/mol. Its IUPAC name is anthracene;1,1,1-trimethoxyhexadecane.

Molecular Properties

Compound Nameanthracene;1,1,1-trimethoxyhexadecane
PubChem CID161067972
Molecular FormulaC33H50O3
Molecular Weight494.76 g/mol
Exact Mass494.38
IUPAC Nameanthracene;1,1,1-trimethoxyhexadecane
SMILESCCCCCCCCCCCCCCCC(OC)(OC)OC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C19H40O3.C14H10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2,21-3)22-4;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-18H2,1-4H3;1-10H
InChIKeyUEGZEYDLWVVSNJ-UHFFFAOYSA-N
XLogP10.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trimethoxytridecane
CID 102481821
1,1-diphenoxydecoxybenzene
CID 150135541
anthracene;hexan-1-ol
CID 174457209
1,1,1,23,23,23-hexamethoxytricosane
CID 150492552
1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
1,2-bis(13,13,13-trimethoxy-3-methyltridecan-3-yl)benzene
CID 150108305
1-(2-anthracen-1-yldecan-2-yl)anthracene
CID 173387096
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
15-phenylnonacosan-15-ylbenzene
CID 141310981

Frequently Asked Questions

What is the IUPAC name of anthracene;1,1,1-trimethoxyhexadecane?
The IUPAC name of anthracene;1,1,1-trimethoxyhexadecane (CID 161067972) is anthracene;1,1,1-trimethoxyhexadecane.
What is the SMILES notation for anthracene;1,1,1-trimethoxyhexadecane?
The canonical SMILES for anthracene;1,1,1-trimethoxyhexadecane is CCCCCCCCCCCCCCCC(OC)(OC)OC.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;1,1,1-trimethoxyhexadecane?
The InChIKey is UEGZEYDLWVVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3.C14H10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20-2,21-3)22-4;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h5-18H2,1-4H3;1-10H.
What are the key properties of anthracene;1,1,1-trimethoxyhexadecane?
anthracene;1,1,1-trimethoxyhexadecane has a molecular weight of 494.76 g/mol, XLogP of 10.05, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1,1,1-trimethoxyhexadecane is sourced from PubChem (CID 161067972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).