8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene

C18H28O — CID 59271374

IUPAC8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene
SMILESCCCCCCC12OC(C)=CCC1=CC=C(C)C2C
InChIInChI=1S/C18H28O/c1-5-6-7-8-13-18-16(4)14(2)9-11-17(18)12-10-15(3)19-18/h9-11,16H,5-8,12-13H2,1-4H3
InChIKeySQUYYPRSQQCMSI-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.54
Rot. Bonds5

About 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene

8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene (PubChem CID 59271374) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene.

Molecular Properties

Compound Name8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene
PubChem CID59271374
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene
SMILESCCCCCCC12OC(C)=CCC1=CC=C(C)C2C
InChIInChI=1S/C18H28O/c1-5-6-7-8-13-18-16(4)14(2)9-11-17(18)12-10-15(3)19-18/h9-11,16H,5-8,12-13H2,1-4H3
InChIKeySQUYYPRSQQCMSI-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8a-butyl-2-[(3E,8E)-4,8-dimethyltrideca-3,8-dienyl]-2,7,8-trimethyl-4,8-dihydro-3H-chromene
CID 59271588
(5E,10E)-13-(8a-butyl-2,7,8-trimethyl-4,8-dihydro-3H-chromen-2-yl)-2,6,10-trimethyltrideca-5,10-dienoic acid
CID 59271387
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2-bromo-1,1-dihexylcyclopropane
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(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
CID 57069557
3-heptyl-2-methyloxolan-3-ol
CID 82718796
(8S,8aS)-8-hexyl-4-methyl-2,6,8,8a-tetrahydrofuro[2,3-c]oxepine
CID 10999005
2-decyl-2,4-dimethyl-3H-pyran-6-one
CID 100943792
4-dodecyl-2,3,6-trimethylcyclohexa-1,5-diene-1,4-diol
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4-hexyl-2,4,6-trimethylthiopyran
CID 123237129
2,2-bis(octadeca-9,12-dienyl)-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-one
CID 76686174

Frequently Asked Questions

What is the IUPAC name of 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene?
The IUPAC name of 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene (CID 59271374) is 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene.
What is the SMILES notation for 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene?
The canonical SMILES for 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene is CCCCCCC12OC(C)=CCC1=CC=C(C)C2C.
What is the InChIKey of 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene?
The InChIKey is SQUYYPRSQQCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-5-6-7-8-13-18-16(4)14(2)9-11-17(18)12-10-15(3)19-18/h9-11,16H,5-8,12-13H2,1-4H3.
What are the key properties of 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene?
8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene has a molecular weight of 260.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hexyl-2,7,8-trimethyl-4,8-dihydrochromene is sourced from PubChem (CID 59271374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).