1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone

C18H18O2 — CID 114939130

IUPAC1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2ccc3c4c(cccc24)CC3)CO1
InChIInChI=1S/C18H18O2/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyPNKFKEKMTSYTBS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.55
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone

1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone (PubChem CID 114939130) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
PubChem CID114939130
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)c2ccc3c4c(cccc24)CC3)CO1
InChIInChI=1S/C18H18O2/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyPNKFKEKMTSYTBS-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dihydroacenaphthylen-5-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171942315
cyclohexyl(1,2-dihydroacenaphthylen-5-yl)methanone
CID 82646222
1,2-dihydroacenaphthylen-5-yl(piperidin-3-yl)methanone
CID 56755375
(2-bromo-4-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824771
(4-methoxy-2-methylphenyl)-(5-methyloxolan-3-yl)methanone
CID 114965478
(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-N-ethylpiperidine-1-carboxamide
CID 25302096
1,2-dihydroacenaphthylene;1,2-dihydroacenaphthylene-5-carbothioic S-acid
CID 88821671
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone
CID 114824797
(E)-1,3-bis(1,2-dihydroacenaphthylen-5-yl)but-2-en-1-one
CID 177492356
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
CID 50849902
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone (CID 114939130) is 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)c2ccc3c4c(cccc24)CC3)CO1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone?
The InChIKey is PNKFKEKMTSYTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-8,11,14H,5-6,9-10H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone?
1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114939130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).