6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C21H32O — CID 54193152

IUPAC6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCOC1CCC(c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1
InChIInChI=1S/C21H32O/c1-14-11-18-19(21(4,5)10-9-20(18,2)3)13-17(14)15-7-8-16(12-15)22-6/h11,13,15-16H,7-10,12H2,1-6H3
InChIKeyDAEBFJUXZKQWMS-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.63
Rot. Bonds2

About 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 54193152) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID54193152
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCOC1CCC(c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1
InChIInChI=1S/C21H32O/c1-14-11-18-19(21(4,5)10-9-20(18,2)3)13-17(14)15-7-8-16(12-15)22-6/h11,13,15-16H,7-10,12H2,1-6H3
InChIKeyDAEBFJUXZKQWMS-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
(E)-3-[4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid
CID 10135144
N,4,5,5,8,8-hexamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 116525983
(1S)-4,5,5,8,8-pentamethyl-1,2,3,4,6,7-hexahydroanthracen-1-amine
CID 104889638
1-tert-butyl-3-(3-methoxycyclopentyl)pyrazol-5-amine
CID 177323818
6-(2-methoxy-5-methylphenyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
CID 90715574
2-methoxy-6-(3,4,5-trifluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864662
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 59086526
3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopent-2-en-1-one
CID 70182558
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 54193152) is 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is COC1CCC(c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1.
What is the InChIKey of 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is DAEBFJUXZKQWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-14-11-18-19(21(4,5)10-9-20(18,2)3)13-17(14)15-7-8-16(12-15)22-6/h11,13,15-16H,7-10,12H2,1-6H3.
What are the key properties of 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 300.49 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxycyclopentyl)-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 54193152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).