6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene

C18H26O — CID 134936952

IUPAC6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene
SMILESC=C(C)C1(C)CCc2cc(C(C)(C)C)cc(C)c2O1
InChIInChI=1S/C18H26O/c1-12(2)18(7)9-8-14-11-15(17(4,5)6)10-13(3)16(14)19-18/h10-11H,1,8-9H2,2-7H3
InChIKeyYPBKINOXRFDTOR-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.95
Rot. Bonds1

About 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene

6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene (PubChem CID 134936952) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene
PubChem CID134936952
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene
SMILESC=C(C)C1(C)CCc2cc(C(C)(C)C)cc(C)c2O1
InChIInChI=1S/C18H26O/c1-12(2)18(7)9-8-14-11-15(17(4,5)6)10-13(3)16(14)19-18/h10-11H,1,8-9H2,2-7H3
InChIKeyYPBKINOXRFDTOR-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2,8-dimethyl-3,4-dihydrochromene-2-carboxylic acid
CID 138473069
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
CID 84685961
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
6,13,20,27-tetratert-butylpentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(28),4,6,8(32),11,13,15(31),18(30),19,21,25(29),26-dodecaene-29,30,31,32-tetrol
CID 12707932
(7-tert-butyl-2-carbamoyl-2-methyl-3,4-dihydrochromen-6-yl) acetate
CID 67900250
2,6,8-trimethyl-2-[(3E,8E)-4,9,13-trimethyltetradeca-3,8,12-trienyl]-3,4-dihydrochromene
CID 176937160
(2R)-6-[[(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl]peroxy]-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromene
CID 163185406
ethyl 2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 102113586
(2S)-6-methoxy-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromene
CID 163010876
2,2,6-trimethyl-3,4-dihydrochromene-8-carboxylic acid
CID 171787688
2,2,8-trimethyl-4H-1,3-benzodioxine-6-carboxylic acid
CID 86725233
methyl 6-benzoyloxy-2,5,8-trimethyl-3,4-dihydrochromene-2-carboxylate
CID 23624577

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene?
The IUPAC name of 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene (CID 134936952) is 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene.
What is the SMILES notation for 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene?
The canonical SMILES for 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene is C=C(C)C1(C)CCc2cc(C(C)(C)C)cc(C)c2O1.
What is the InChIKey of 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene?
The InChIKey is YPBKINOXRFDTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-12(2)18(7)9-8-14-11-15(17(4,5)6)10-13(3)16(14)19-18/h10-11H,1,8-9H2,2-7H3.
What are the key properties of 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene?
6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene has a molecular weight of 258.40 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,8-dimethyl-2-prop-1-en-2-yl-3,4-dihydrochromene is sourced from PubChem (CID 134936952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).