16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]

C26H23Cl — CID 154947345

IUPAC16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]
SMILESClc1ccc2c(c1)-c1cc3c(cc1CC2)-c1ccccc1C31CCCCC1
InChIInChI=1S/C26H23Cl/c27-19-11-10-17-8-9-18-14-23-20-6-2-3-7-24(20)26(12-4-1-5-13-26)25(23)16-22(18)21(17)15-19/h2-3,6-7,10-11,14-16H,1,4-5,8-9,12-13H2
InChIKeyFQGAIYMFKJAXFZ-UHFFFAOYSA-N
MW370.92 g/mol
LogP7.34
Rot. Bonds

About 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]

16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] (PubChem CID 154947345) has the molecular formula C26H23Cl and a molecular weight of 370.92 g/mol. Its IUPAC name is 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene].

Molecular Properties

Compound Name16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]
PubChem CID154947345
Molecular FormulaC26H23Cl
Molecular Weight370.92 g/mol
Exact Mass370.15
IUPAC Name16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]
SMILESClc1ccc2c(c1)-c1cc3c(cc1CC2)-c1ccccc1C31CCCCC1
InChIInChI=1S/C26H23Cl/c27-19-11-10-17-8-9-18-14-23-20-6-2-3-7-24(20)26(12-4-1-5-13-26)25(23)16-22(18)21(17)15-19/h2-3,6-7,10-11,14-16H,1,4-5,8-9,12-13H2
InChIKeyFQGAIYMFKJAXFZ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]?
The IUPAC name of 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] (CID 154947345) is 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene].
What is the SMILES notation for 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]?
The canonical SMILES for 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] is Clc1ccc2c(c1)-c1cc3c(cc1CC2)-c1ccccc1C31CCCCC1.
What is the InChIKey of 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]?
The InChIKey is FQGAIYMFKJAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl/c27-19-11-10-17-8-9-18-14-23-20-6-2-3-7-24(20)26(12-4-1-5-13-26)25(23)16-22(18)21(17)15-19/h2-3,6-7,10-11,14-16H,1,4-5,8-9,12-13H2.
What are the key properties of 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]?
16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] has a molecular weight of 370.92 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene] is sourced from PubChem (CID 154947345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).