6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene

C32H56O2 — CID 19787623

IUPAC6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene
SMILESCCCCCCCCCCCCOc1cc2c(cc1CCCCCCCC)OC(C)(C)CC2C
InChIInChI=1S/C32H56O2/c1-6-8-10-12-14-15-16-17-19-21-23-33-30-25-29-27(3)26-32(4,5)34-31(29)24-28(30)22-20-18-13-11-9-7-2/h24-25,27H,6-23,26H2,1-5H3
InChIKeyAMIAXACXJWINPW-UHFFFAOYSA-N
MW472.80 g/mol
LogP10.55
Rot. Bonds19

About 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene

6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene (PubChem CID 19787623) has the molecular formula C32H56O2 and a molecular weight of 472.80 g/mol. Its IUPAC name is 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene
PubChem CID19787623
Molecular FormulaC32H56O2
Molecular Weight472.80 g/mol
Exact Mass472.43
IUPAC Name6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene
SMILESCCCCCCCCCCCCOc1cc2c(cc1CCCCCCCC)OC(C)(C)CC2C
InChIInChI=1S/C32H56O2/c1-6-8-10-12-14-15-16-17-19-21-23-33-30-25-29-27(3)26-32(4,5)34-31(29)24-28(30)22-20-18-13-11-9-7-2/h24-25,27H,6-23,26H2,1-5H3
InChIKeyAMIAXACXJWINPW-UHFFFAOYSA-N
XLogP10.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 154982719
2-octyl-3,6,7,10,11-pentapentoxytriphenylene
CID 59725456
2,3,6,7,10-pentaoctoxy-11-octyltriphenylene
CID 20661268
2,2,4-trimethyl-3,4-dihydrochromene-6,7-diol
CID 45093087
7-but-2-enyl-2,2,4-trimethyl-3,4-dihydrochromen-6-ol
CID 70639080
2,2,4-trimethyl-6-(2-methylbutan-2-yloxy)-8-pentyl-4,5-dihydro-3H-1-benzoxepine
CID 70862013
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
(1S,3R,10S,12R)-6,7,15,16-tetrahexoxy-19,20-dioxahexacyclo[10.6.1.13,10.02,11.04,9.013,18]icosa-4,6,8,13,15,17-hexaene
CID 15266031
2,2,4,4-tetramethyl-7-octyl-3H-chromen-6-ol
CID 15332912
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
2,6,10-trimethoxy-3,7-dioctoxy-11-octyltriphenylene
CID 20661278
1-octadecoxy-2-tridecylbenzene
CID 139667656

Frequently Asked Questions

What is the IUPAC name of 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene?
The IUPAC name of 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene (CID 19787623) is 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene.
What is the SMILES notation for 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene?
The canonical SMILES for 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene is CCCCCCCCCCCCOc1cc2c(cc1CCCCCCCC)OC(C)(C)CC2C.
What is the InChIKey of 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene?
The InChIKey is AMIAXACXJWINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56O2/c1-6-8-10-12-14-15-16-17-19-21-23-33-30-25-29-27(3)26-32(4,5)34-31(29)24-28(30)22-20-18-13-11-9-7-2/h24-25,27H,6-23,26H2,1-5H3.
What are the key properties of 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene?
6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene has a molecular weight of 472.80 g/mol, XLogP of 10.55, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecoxy-2,2,4-trimethyl-7-octyl-3,4-dihydrochromene is sourced from PubChem (CID 19787623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).