2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene

C20H34O — CID 170552728

IUPAC2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene
SMILESCC12CCCC=C1OC(C)(C1CCCC1)C(C)(C)C2(C)C
InChIInChI=1S/C20H34O/c1-17(2)18(3,4)20(6,15-11-7-8-12-15)21-16-13-9-10-14-19(16,17)5/h13,15H,7-12,14H2,1-6H3
InChIKeyIYOSPQHWIWBYRZ-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.09
Rot. Bonds1

About 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene

2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene (PubChem CID 170552728) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene.

Molecular Properties

Compound Name2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene
PubChem CID170552728
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene
SMILESCC12CCCC=C1OC(C)(C1CCCC1)C(C)(C)C2(C)C
InChIInChI=1S/C20H34O/c1-17(2)18(3,4)20(6,15-11-7-8-12-15)21-16-13-9-10-14-19(16,17)5/h13,15H,7-12,14H2,1-6H3
InChIKeyIYOSPQHWIWBYRZ-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
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(2S)-2-[(1R,7aR)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene?
The IUPAC name of 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene (CID 170552728) is 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene.
What is the SMILES notation for 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene?
The canonical SMILES for 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene is CC12CCCC=C1OC(C)(C1CCCC1)C(C)(C)C2(C)C.
What is the InChIKey of 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene?
The InChIKey is IYOSPQHWIWBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-17(2)18(3,4)20(6,15-11-7-8-12-15)21-16-13-9-10-14-19(16,17)5/h13,15H,7-12,14H2,1-6H3.
What are the key properties of 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene?
2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene has a molecular weight of 290.49 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2,3,3,4,4,4a-hexamethyl-6,7-dihydro-5H-chromene is sourced from PubChem (CID 170552728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).