10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene

C19H20 — CID 123732290

IUPAC10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene
SMILESCCC=CC1=C(C)c2ccccc2C2C=CC=CC12
InChIInChI=1S/C19H20/c1-3-4-9-15-14(2)16-10-5-6-11-18(16)19-13-8-7-12-17(15)19/h4-13,17,19H,3H2,1-2H3
InChIKeyPNJTYICWLUFDFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.27
Rot. Bonds2

About 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene

10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene (PubChem CID 123732290) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene.

Molecular Properties

Compound Name10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene
PubChem CID123732290
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene
SMILESCCC=CC1=C(C)c2ccccc2C2C=CC=CC12
InChIInChI=1S/C19H20/c1-3-4-9-15-14(2)16-10-5-6-11-18(16)19-13-8-7-12-17(15)19/h4-13,17,19H,3H2,1-2H3
InChIKeyPNJTYICWLUFDFE-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-[(1Z)-buta-1,3-dienyl]-3-methyl-4-oxocyclohexa-2,5-dien-1-yl]-4H-naphthalen-1-one
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1,2-bis(but-1-enyl)benzene
CID 140975855
9-hepta-2,4-dien-3-yl-10-(4-methylphenyl)-4a,10-dihydroanthracene
CID 123560697
lithium 9-ethyl-9H-fluorene
CID 23225742
benzene;but-1-enylbenzene
CID 157481332
ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
20-methyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),3,5,8,10,12,15(23),17(22),18,20,24-undecaene
CID 144609134
8,9-dimethyltricyclo[8.4.1.02,7]pentadeca-2,4,6,8,10(15),11,13-heptaene
CID 143289408
N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
CID 155029369
4a,9a-dihydroanthracene-9,10-dione;ethane
CID 90920478
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
[[(1R)-1,3-dimethyl-1H-inden-2-yl]methylideneamino]urea
CID 7159362

Frequently Asked Questions

What is the IUPAC name of 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene?
The IUPAC name of 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene (CID 123732290) is 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene.
What is the SMILES notation for 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene?
The canonical SMILES for 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene is CCC=CC1=C(C)c2ccccc2C2C=CC=CC12.
What is the InChIKey of 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene?
The InChIKey is PNJTYICWLUFDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-3-4-9-15-14(2)16-10-5-6-11-18(16)19-13-8-7-12-17(15)19/h4-13,17,19H,3H2,1-2H3.
What are the key properties of 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene?
10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene has a molecular weight of 248.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-but-1-enyl-9-methyl-4a,10a-dihydrophenanthrene is sourced from PubChem (CID 123732290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).