ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan

C18H24O — CID 143456699

IUPACethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan
SMILESC=Cc1c(/C=C\C)oc2c1C=CC(C)(C)C=C2.CC
InChIInChI=1S/C16H18O.C2H6/c1-5-7-14-12(6-2)13-8-10-16(3,4)11-9-15(13)17-14;1-2/h5-11H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyDRJUAVIZJCSFGP-YJOCEBFMSA-N
MW256.39 g/mol
LogP6.05
Rot. Bonds2

About ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan

ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan (PubChem CID 143456699) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan.

Molecular Properties

Compound Nameethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan
PubChem CID143456699
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Nameethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan
SMILESC=Cc1c(/C=C\C)oc2c1C=CC(C)(C)C=C2.CC
InChIInChI=1S/C16H18O.C2H6/c1-5-7-14-12(6-2)13-8-10-16(3,4)11-9-15(13)17-14;1-2/h5-11H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyDRJUAVIZJCSFGP-YJOCEBFMSA-N
XLogP6.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
5-ethenyl-3-methyl-6-[(Z)-prop-1-enyl]-1,3-oxazine-2,4-dione
CID 143617825
1-ethenyl-2-[(Z)-prop-1-enyl]benzo[e][1]benzofuran
CID 134365271
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
ethane;3-ethenyl-2,5-diphenyl-4-[(Z)-prop-1-enyl]furan
CID 142263248
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-1,3-oxazole
CID 142166033
3-methyl-2-[(E)-prop-1-enyl]furan
CID 59930560
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-amine;fluoromethane
CID 145139768
(1E,4Z)-1-[4-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]furan-2-yl]hexa-1,4-diene-2-thiol
CID 146671697

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan?
The IUPAC name of ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan (CID 143456699) is ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan.
What is the SMILES notation for ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan?
The canonical SMILES for ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan is C=Cc1c(/C=C\C)oc2c1C=CC(C)(C)C=C2.CC.
What is the InChIKey of ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan?
The InChIKey is DRJUAVIZJCSFGP-YJOCEBFMSA-N. The full InChI is InChI=1S/C16H18O.C2H6/c1-5-7-14-12(6-2)13-8-10-16(3,4)11-9-15(13)17-14;1-2/h5-11H,2H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan?
ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan has a molecular weight of 256.39 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-6,6-dimethyl-2-[(Z)-prop-1-enyl]cyclohepta[b]furan is sourced from PubChem (CID 143456699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).