(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene

C18H24 — CID 143323328

IUPAC(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene
SMILESCC/C1=C/C=C\C=C/C2=C1C(C)C1CCCCC21
InChIInChI=1S/C18H24/c1-3-14-9-5-4-6-12-17-16-11-8-7-10-15(16)13(2)18(14)17/h4-6,9,12-13,15-16H,3,7-8,10-11H2,1-2H3/b5-4-,6-4-,9-5-,12-6-,14-9-,17-12-,18-14-
InChIKeyVRNNOEYUUWUSHN-QXZPWBSXSA-N
MW240.39 g/mol
LogP5.20
Rot. Bonds1

About (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene

(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene (PubChem CID 143323328) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene.

Molecular Properties

Compound Name(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene
PubChem CID143323328
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene
SMILESCC/C1=C/C=C\C=C/C2=C1C(C)C1CCCCC21
InChIInChI=1S/C18H24/c1-3-14-9-5-4-6-12-17-16-11-8-7-10-15(16)13(2)18(14)17/h4-6,9,12-13,15-16H,3,7-8,10-11H2,1-2H3/b5-4-,6-4-,9-5-,12-6-,14-9-,17-12-,18-14-
InChIKeyVRNNOEYUUWUSHN-QXZPWBSXSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene?
The IUPAC name of (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene (CID 143323328) is (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene.
What is the SMILES notation for (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene?
The canonical SMILES for (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene is CC/C1=C/C=C\C=C/C2=C1C(C)C1CCCCC21.
What is the InChIKey of (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene?
The InChIKey is VRNNOEYUUWUSHN-QXZPWBSXSA-N. The full InChI is InChI=1S/C18H24/c1-3-14-9-5-4-6-12-17-16-11-8-7-10-15(16)13(2)18(14)17/h4-6,9,12-13,15-16H,3,7-8,10-11H2,1-2H3/b5-4-,6-4-,9-5-,12-6-,14-9-,17-12-,18-14-.
What are the key properties of (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene?
(5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene has a molecular weight of 240.39 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z)-10-ethyl-11-methyl-2,3,4,4a,11,11a-hexahydro-1H-cycloocta[a]indene is sourced from PubChem (CID 143323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).