15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C25H17ClO — CID 155005086

IUPAC15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3cc(Cl)c12
InChIInChI=1S/C25H17ClO/c1-25(2)18-10-6-5-9-16(18)21-19(25)12-11-17-22-20(26)13-14-7-3-4-8-15(14)23(22)27-24(17)21/h3-13H,1-2H3
InChIKeyWAAAELJVRURKNR-UHFFFAOYSA-N
MW368.86 g/mol
LogP7.70
Rot. Bonds

About 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 155005086) has the molecular formula C25H17ClO and a molecular weight of 368.86 g/mol. Its IUPAC name is 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID155005086
Molecular FormulaC25H17ClO
Molecular Weight368.86 g/mol
Exact Mass368.10
IUPAC Name15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3cc(Cl)c12
InChIInChI=1S/C25H17ClO/c1-25(2)18-10-6-5-9-16(18)21-19(25)12-11-17-22-20(26)13-14-7-3-4-8-15(14)23(22)27-24(17)21/h3-13H,1-2H3
InChIKeyWAAAELJVRURKNR-UHFFFAOYSA-N
XLogP7.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

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N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-naphthalen-2-ylfluoreno[4,3-b][1]benzofuran-1-amine
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(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)boronic acid
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4-methoxy-7,7-dimethylfluoreno[4,3-b][1]benzofuran
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7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
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9,9-dimethyl-16-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186143

Frequently Asked Questions

What is the IUPAC name of 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 155005086) is 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccccc2-c2c1ccc1c2oc2c3ccccc3cc(Cl)c12.
What is the InChIKey of 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is WAAAELJVRURKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClO/c1-25(2)18-10-6-5-9-16(18)21-19(25)12-11-17-22-20(26)13-14-7-3-4-8-15(14)23(22)27-24(17)21/h3-13H,1-2H3.
What are the key properties of 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 368.86 g/mol, XLogP of 7.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-9,9-dimethyl-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 155005086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).