benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene

C26H26 — CID 174904780

IUPACbenzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
SMILESCC[C@H]1C=c2ccc3c(c2CC1)CC=c1ccccc1=3.c1ccccc1
InChIInChI=1S/C20H20.C6H6/c1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;1-2-4-6-5-3-1/h3-6,8-9,12-14H,2,7,10-11H2,1H3;1-6H/t14-;/m1./s1
InChIKeyVKUGICNNCLPYII-PFEQFJNWSA-N
MW338.49 g/mol
LogP4.75
Rot. Bonds1

About benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene

benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene (PubChem CID 174904780) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Namebenzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
PubChem CID174904780
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Namebenzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
SMILESCC[C@H]1C=c2ccc3c(c2CC1)CC=c1ccccc1=3.c1ccccc1
InChIInChI=1S/C20H20.C6H6/c1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;1-2-4-6-5-3-1/h3-6,8-9,12-14H,2,7,10-11H2,1H3;1-6H/t14-;/m1./s1
InChIKeyVKUGICNNCLPYII-PFEQFJNWSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene (CID 174904780) is benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene is CC[C@H]1C=c2ccc3c(c2CC1)CC=c1ccccc1=3.c1ccccc1.
What is the InChIKey of benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is VKUGICNNCLPYII-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H20.C6H6/c1-2-14-7-10-18-16(13-14)9-12-19-17-6-4-3-5-15(17)8-11-20(18)19;1-2-4-6-5-3-1/h3-6,8-9,12-14H,2,7,10-11H2,1H3;1-6H/t14-;/m1./s1.
What are the key properties of benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene?
benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 338.49 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174904780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).