6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan

C14H20O — CID 142586596

IUPAC6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan
SMILESCC(C)C1CC2=C(C=CC(C)(C)C=C2)O1
InChIInChI=1S/C14H20O/c1-10(2)13-9-11-5-7-14(3,4)8-6-12(11)15-13/h5-8,10,13H,9H2,1-4H3
InChIKeyIQDXWQUWEGWGFX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.84
Rot. Bonds1

About 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan

6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan (PubChem CID 142586596) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan
PubChem CID142586596
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan
SMILESCC(C)C1CC2=C(C=CC(C)(C)C=C2)O1
InChIInChI=1S/C14H20O/c1-10(2)13-9-11-5-7-14(3,4)8-6-12(11)15-13/h5-8,10,13H,9H2,1-4H3
InChIKeyIQDXWQUWEGWGFX-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-Dimethyl-4-methylidene-4a,8a-dihydrochromene
CID 68189447
2,7-dimethyl-3,4-dihydro-2H-cyclohepta[b]furan
CID 68263142
2,3,4,5,7,8-hexamethyl-6,8a-dihydro-3aH-cyclohepta[b]furan
CID 71203300
(5R,6S)-6-ethenoxy-2-ethoxy-5-methylcyclohepta-1,3-diene
CID 89200102
6-Methyl-6-(2-methylbutyl)-2,3-dihydrocyclohepta[b]furan
CID 91056733
4,8-Dimethyl-2,3,4,7-tetrahydrocycloocta[b]furan
CID 91074821
8-methyl-8,8a-dihydro-4H-chromene
CID 91606513
2,3,7-Trimethyl-3a,7a-dihydro-1-benzofuran
CID 123208750
5-Methyl-1-propan-2-yl-2-propan-2-yloxycyclohexa-1,3-diene
CID 123709959
7-Ethyl-2-(hexan-3-yloxymethyl)cyclohepta-1,3,5-triene
CID 123752599
2-But-1-enyl-3,4-dimethyl-5-prop-1-enyl-2,3-dihydrofuran
CID 123872890
8,8-Dimethyl-4,4a-dihydrocyclohepta[b][1]benzofuran
CID 126702391

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan (CID 142586596) is 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan is CC(C)C1CC2=C(C=CC(C)(C)C=C2)O1.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan?
The InChIKey is IQDXWQUWEGWGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)13-9-11-5-7-14(3,4)8-6-12(11)15-13/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan?
6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan has a molecular weight of 204.31 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-2,3-dihydrocyclohepta[b]furan is sourced from PubChem (CID 142586596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).