9,9-dimethyl-10H-benzo[a]azulene;ethane

C18H22 — CID 143010271

IUPAC9,9-dimethyl-10H-benzo[a]azulene;ethane
SMILESCC.CC1(C)C=CC=CC2=C1Cc1ccccc12
InChIInChI=1S/C16H16.C2H6/c1-16(2)10-6-5-9-14-13-8-4-3-7-12(13)11-15(14)16;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyNBRFIBDZPSVHMQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.17
Rot. Bonds

About 9,9-dimethyl-10H-benzo[a]azulene;ethane

9,9-dimethyl-10H-benzo[a]azulene;ethane (PubChem CID 143010271) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 9,9-dimethyl-10H-benzo[a]azulene;ethane.

Molecular Properties

Compound Name9,9-dimethyl-10H-benzo[a]azulene;ethane
PubChem CID143010271
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name9,9-dimethyl-10H-benzo[a]azulene;ethane
SMILESCC.CC1(C)C=CC=CC2=C1Cc1ccccc12
InChIInChI=1S/C16H16.C2H6/c1-16(2)10-6-5-9-14-13-8-4-3-7-12(13)11-15(14)16;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyNBRFIBDZPSVHMQ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dichloro-2,9-dihydrofluorene
CID 164883426
2-ethylidene-16,16-dimethyltricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaene
CID 91204984
(3Z,5Z)-11H-indeno[2,1-c]azocine
CID 138376849
13-tert-butyl-10,12-dimethyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 151062936
ethene;9H-fluorene
CID 159544077
12-nonyl-10-phenyl-11-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 172719303
ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
CID 145348138
ethane;pentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 123798005
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703
9H-fluorene;trihydrofluoride
CID 172854917

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10H-benzo[a]azulene;ethane?
The IUPAC name of 9,9-dimethyl-10H-benzo[a]azulene;ethane (CID 143010271) is 9,9-dimethyl-10H-benzo[a]azulene;ethane.
What is the SMILES notation for 9,9-dimethyl-10H-benzo[a]azulene;ethane?
The canonical SMILES for 9,9-dimethyl-10H-benzo[a]azulene;ethane is CC.CC1(C)C=CC=CC2=C1Cc1ccccc12.
What is the InChIKey of 9,9-dimethyl-10H-benzo[a]azulene;ethane?
The InChIKey is NBRFIBDZPSVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.C2H6/c1-16(2)10-6-5-9-14-13-8-4-3-7-12(13)11-15(14)16;1-2/h3-10H,11H2,1-2H3;1-2H3.
What are the key properties of 9,9-dimethyl-10H-benzo[a]azulene;ethane?
9,9-dimethyl-10H-benzo[a]azulene;ethane has a molecular weight of 238.37 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10H-benzo[a]azulene;ethane is sourced from PubChem (CID 143010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).