1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene

C22H26 — CID 174513680

IUPAC1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene
SMILESCC1CCCc2c1ccc1c2CC(C(C)C)c2ccccc2-1
InChIInChI=1S/C22H26/c1-14(2)21-13-22-17-10-6-7-15(3)16(17)11-12-20(22)18-8-4-5-9-19(18)21/h4-5,8-9,11-12,14-15,21H,6-7,10,13H2,1-3H3
InChIKeyRBQCBGUAPFQTDT-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.09
Rot. Bonds1

About 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene

1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene (PubChem CID 174513680) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene
PubChem CID174513680
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene
SMILESCC1CCCc2c1ccc1c2CC(C(C)C)c2ccccc2-1
InChIInChI=1S/C22H26/c1-14(2)21-13-22-17-10-6-7-15(3)16(17)11-12-20(22)18-8-4-5-9-19(18)21/h4-5,8-9,11-12,14-15,21H,6-7,10,13H2,1-3H3
InChIKeyRBQCBGUAPFQTDT-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 144539733
1-chloro-5-propan-2-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 171768970
4-(7-methyl-7,8,9,10-tetrahydrochrysen-1-yl)pyridine
CID 174607280
1-methyl-4-methylidene-2,3-dihydro-1H-naphthalene
CID 13067250
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8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
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CID 59961726
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
3-[(5R)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-5-(4-propan-2-yloxybenzene-5-id-1-yl)-1,2,4-oxadiazole;yttrium
CID 58355033

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene?
The IUPAC name of 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene (CID 174513680) is 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene.
What is the SMILES notation for 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene?
The canonical SMILES for 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene is CC1CCCc2c1ccc1c2CC(C(C)C)c2ccccc2-1.
What is the InChIKey of 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene?
The InChIKey is RBQCBGUAPFQTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-14(2)21-13-22-17-10-6-7-15(3)16(17)11-12-20(22)18-8-4-5-9-19(18)21/h4-5,8-9,11-12,14-15,21H,6-7,10,13H2,1-3H3.
What are the key properties of 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene?
1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene has a molecular weight of 290.45 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-1,2,3,4,5,6-hexahydrochrysene is sourced from PubChem (CID 174513680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).