(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

C16H16 — CID 145218039

IUPAC(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESC=C/C=c1/c2c(cc(C)c1=C)C1CC1C=C2
InChIInChI=1S/C16H16/c1-4-5-13-11(3)10(2)8-16-14(13)7-6-12-9-15(12)16/h4-8,12,15H,1,3,9H2,2H3/b13-5+
InChIKeyUUTOLQPZORVKRN-WLRTZDKTSA-N
MW208.30 g/mol
LogP2.50
Rot. Bonds1

About (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 145218039) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Name(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID145218039
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESC=C/C=c1/c2c(cc(C)c1=C)C1CC1C=C2
InChIInChI=1S/C16H16/c1-4-5-13-11(3)10(2)8-16-14(13)7-6-12-9-15(12)16/h4-8,12,15H,1,3,9H2,2H3/b13-5+
InChIKeyUUTOLQPZORVKRN-WLRTZDKTSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (CID 145218039) is (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is C=C/C=c1/c2c(cc(C)c1=C)C1CC1C=C2.
What is the InChIKey of (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is UUTOLQPZORVKRN-WLRTZDKTSA-N. The full InChI is InChI=1S/C16H16/c1-4-5-13-11(3)10(2)8-16-14(13)7-6-12-9-15(12)16/h4-8,12,15H,1,3,9H2,2H3/b13-5+.
What are the key properties of (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 208.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 145218039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).