4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene

C18H22 — CID 159250424

IUPAC4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene
SMILESCc1ccc2c(c1)C13CCCC=C1C(CCC3)C2
InChIInChI=1S/C18H22/c1-13-7-8-15-12-14-5-4-10-18(17(15)11-13)9-3-2-6-16(14)18/h6-8,11,14H,2-5,9-10,12H2,1H3
InChIKeyNGDDNSYKLUHOSO-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.70
Rot. Bonds

About 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene

4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene (PubChem CID 159250424) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene.

Molecular Properties

Compound Name4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene
PubChem CID159250424
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene
SMILESCc1ccc2c(c1)C13CCCC=C1C(CCC3)C2
InChIInChI=1S/C18H22/c1-13-7-8-15-12-14-5-4-10-18(17(15)11-13)9-3-2-6-16(14)18/h6-8,11,14H,2-5,9-10,12H2,1H3
InChIKeyNGDDNSYKLUHOSO-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
5'-methylspiro[1,2,5,6-tetrahydroindene-3,3'-1,2-dihydroindene]
CID 143183690
5,5,7,9b-tetramethyl-2,3,3a,4-tetrahydro-1H-cyclopenta[a]naphthalene
CID 139746549
(4aR,10aS)-4a-methyl-2,3,4,6,7,8,8a,9,10,10a-decahydro-1H-phenanthrene
CID 59720392
(1S)-4,17-dimethyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 88878035
(1S,5R,13R)-10-methyl-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,16-tetraen-14-one
CID 170370377
7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010920
6-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2'-one
CID 105468845
4,16-dimethyl-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene
CID 91074705
4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 3079
(1S,9R,10S)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
CID 5492722
(1R,9R,10R)-4,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;phosphoric acid
CID 68667066

Frequently Asked Questions

What is the IUPAC name of 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene?
The IUPAC name of 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene (CID 159250424) is 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene.
What is the SMILES notation for 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene?
The canonical SMILES for 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene is Cc1ccc2c(c1)C13CCCC=C1C(CCC3)C2.
What is the InChIKey of 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene?
The InChIKey is NGDDNSYKLUHOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13-7-8-15-12-14-5-4-10-18(17(15)11-13)9-3-2-6-16(14)18/h6-8,11,14H,2-5,9-10,12H2,1H3.
What are the key properties of 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene?
4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene has a molecular weight of 238.37 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyltetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraene is sourced from PubChem (CID 159250424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).