2-ethyl-1,2-dihydrocyclobuta[b]naphthalene

C14H14 — CID 158617170

IUPAC2-ethyl-1,2-dihydrocyclobuta[b]naphthalene
SMILESCCC1Cc2cc3ccccc3cc21
InChIInChI=1S/C14H14/c1-2-10-7-13-8-11-5-3-4-6-12(11)9-14(10)13/h3-6,8-10H,2,7H2,1H3
InChIKeyRXUHSNNNPRHDMW-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.89
Rot. Bonds1

About 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene

2-ethyl-1,2-dihydrocyclobuta[b]naphthalene (PubChem CID 158617170) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene.

Molecular Properties

Compound Name2-ethyl-1,2-dihydrocyclobuta[b]naphthalene
PubChem CID158617170
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-1,2-dihydrocyclobuta[b]naphthalene
SMILESCCC1Cc2cc3ccccc3cc21
InChIInChI=1S/C14H14/c1-2-10-7-13-8-11-5-3-4-6-12(11)9-14(10)13/h3-6,8-10H,2,7H2,1H3
InChIKeyRXUHSNNNPRHDMW-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methoxy-1,2-dihydrocyclobuta[b]naphthalene
CID 135298847
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
anthracene;(E)-hex-3-ene;propane
CID 144562643
1-ethyl-2,3-dihydro-1H-indene
CID 20971
tridecacyclo[18.10.10.105,16.02,19.04,17.06,15.08,13.021,30.023,28.031,40.033,38.041,50.043,48]pentaconta-2(19),3,6,8,10,12,14,17,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49-tricosaene
CID 23399582
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one
CID 100965743
2-(10-tetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),11,13,15,17-pentaenyloxymethyl)oxirane
CID 58180764
6-[2-[(10-ethyl-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]ethyl]-N-methylpyridin-2-amine
CID 20620111
1,4-dihydroanthracene
CID 10142816
anthracene;ethanol;titanium
CID 160763576

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene?
The IUPAC name of 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene (CID 158617170) is 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene.
What is the SMILES notation for 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene?
The canonical SMILES for 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene is CCC1Cc2cc3ccccc3cc21.
What is the InChIKey of 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene?
The InChIKey is RXUHSNNNPRHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-10-7-13-8-11-5-3-4-6-12(11)9-14(10)13/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene?
2-ethyl-1,2-dihydrocyclobuta[b]naphthalene has a molecular weight of 182.27 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-dihydrocyclobuta[b]naphthalene is sourced from PubChem (CID 158617170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).