6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]

C15H20O — CID 177284637

IUPAC6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESCC(C)(C)c1ccc2c(c1)C1(CCO2)CC1
InChIInChI=1S/C15H20O/c1-14(2,3)11-4-5-13-12(10-11)15(6-7-15)8-9-16-13/h4-5,10H,6-9H2,1-3H3
InChIKeyYAJVEFNJEYVKNH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds

About 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]

6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (PubChem CID 177284637) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane].

Molecular Properties

Compound Name6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
PubChem CID177284637
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
SMILESCC(C)(C)c1ccc2c(c1)C1(CCO2)CC1
InChIInChI=1S/C15H20O/c1-14(2,3)11-4-5-13-12(10-11)15(6-7-15)8-9-16-13/h4-5,10H,6-9H2,1-3H3
InChIKeyYAJVEFNJEYVKNH-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-spiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-ylethanone
CID 175880774
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
7-tert-butyl-5-(dimethylamino)-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247703
N-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740103
4,24-ditert-butyl-8,11,14,17,20-pentaoxatricyclo[19.4.0.02,7]pentacosa-1(21),2(7),3,5,22,24-hexaene
CID 5031765
2-[4,4-bis(methylsulfanyl)-2,3-dihydrochromen-6-yl]but-3-en-2-ol
CID 57106705
11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene;2,2-dimethylpropane
CID 43835335
2'-deuterio-N-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740085
15,35-ditert-butyl-7,11,23,27,39,43-hexaoxaheptacyclo[26.17.0.04,22.06,20.012,17.030,44.033,38]pentatetraconta-1(28),4(22),5,12(17),13,15,20,29,33(38),34,36,44-dodecaen-2,18,31-triyne
CID 102329639
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
6-tert-butyl-2,3-dihydro-1,4-benzodioxine;7-tert-butyl-2-methylidene-3,4-dihydro-1H-quinoline;methane
CID 162112953
spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10420425

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The IUPAC name of 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane] (CID 177284637) is 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane].
What is the SMILES notation for 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The canonical SMILES for 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is CC(C)(C)c1ccc2c(c1)C1(CCO2)CC1.
What is the InChIKey of 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
The InChIKey is YAJVEFNJEYVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-14(2,3)11-4-5-13-12(10-11)15(6-7-15)8-9-16-13/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane]?
6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane] has a molecular weight of 216.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylspiro[2,3-dihydrochromene-4,1'-cyclopropane] is sourced from PubChem (CID 177284637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).