4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene

C22H34 — CID 21029318

IUPAC4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)=CCCC(C)C1CCC(C)c2c1cc(C)c(C)c2C
InChIInChI=1S/C22H34/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-19(7)18(6)17(5)13-21(20)22/h9,13,15-16,20H,8,10-12H2,1-7H3
InChIKeyWXSQNGMBRBNXCI-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.98
Rot. Bonds4

About 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene

4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 21029318) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID21029318
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)=CCCC(C)C1CCC(C)c2c1cc(C)c(C)c2C
InChIInChI=1S/C22H34/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-19(7)18(6)17(5)13-21(20)22/h9,13,15-16,20H,8,10-12H2,1-7H3
InChIKeyWXSQNGMBRBNXCI-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-4,5,7-trimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 168801112
(4R)-5-[4-[[(8R)-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butoxy]-4,7-dimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 71595567
[(3R,4S,5R,6S)-4,5-dihydroxy-6-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate
CID 163018397
[(3R,4S,5S,6R)-4,5-dihydroxy-6-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate
CID 11477080
[(2S,3S,4R,5R)-4,5-dihydroxy-2-[[(5R,8S)-2-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]oxan-3-yl] acetate
CID 44584537
[(2S,3S,4R,5S,6S)-4,5-dihydroxy-2-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-6-methyloxan-3-yl] acetate
CID 101247929
(1S,4R)-4,7-dimethyl-1-[(2S)-6-methylhept-5-en-2-yl]-5-[(4-nitrophenyl)methoxy]-1,2,3,4-tetrahydronaphthalene
CID 70686230
(4S,5S,8R)-8,12-dimethyl-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-3,10-diol;(4S,5S,8R)-8,12-dimethyl-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-10-ol;(5S,8R)-5-[(2S)-1-hydroxy-6-methylhept-5-en-2-yl]-2,3,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-ol;(5S,8R)-2,3,8-trimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 162195408
(5S,8R)-3,8-bis(hydroxymethyl)-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 14466279
(5R,8S)-4-hydroxy-8-[(E,2S)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 163123434
(5R,8S)-5-acetyloxy-4-hydroxy-8-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 101442329
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 21029318) is 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)=CCCC(C)C1CCC(C)c2c1cc(C)c(C)c2C.
What is the InChIKey of 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WXSQNGMBRBNXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-19(7)18(6)17(5)13-21(20)22/h9,13,15-16,20H,8,10-12H2,1-7H3.
What are the key properties of 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene?
4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.51 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-1-(6-methylhept-5-en-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 21029318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).