(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene

C29H28O2 — CID 164682210

IUPAC(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene
SMILESCOc1cc2ccccc2c2c1CC1CCC[C@H]1Cc1c(OC)cc3ccccc3c1-2
InChIInChI=1S/C29H28O2/c1-30-26-16-20-8-3-5-12-22(20)28-24(26)14-18-10-7-11-19(18)15-25-27(31-2)17-21-9-4-6-13-23(21)29(25)28/h3-6,8-9,12-13,16-19H,7,10-11,14-15H2,1-2H3/t18-,19?/m0/s1
InChIKeyRNFZMVWCAQYXHC-OYKVQYDMSA-N
MW408.54 g/mol
LogP7.19
Rot. Bonds2

About (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene

(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene (PubChem CID 164682210) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene.

Molecular Properties

Compound Name(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene
PubChem CID164682210
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene
SMILESCOc1cc2ccccc2c2c1CC1CCC[C@H]1Cc1c(OC)cc3ccccc3c1-2
InChIInChI=1S/C29H28O2/c1-30-26-16-20-8-3-5-12-22(20)28-24(26)14-18-10-7-11-19(18)15-25-27(31-2)17-21-9-4-6-13-23(21)29(25)28/h3-6,8-9,12-13,16-19H,7,10-11,14-15H2,1-2H3/t18-,19?/m0/s1
InChIKeyRNFZMVWCAQYXHC-OYKVQYDMSA-N
XLogP7.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene with MolForge

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Related Compounds

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CID 102019300
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CID 71601456
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CID 102337988
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CID 71079447
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7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
CID 173098398
1-(2,3-dimethoxynaphthalen-1-yl)-N-methylnaphthalen-2-amine
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CID 159220371
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene?
The IUPAC name of (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene (CID 164682210) is (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene.
What is the SMILES notation for (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene?
The canonical SMILES for (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene is COc1cc2ccccc2c2c1CC1CCC[C@H]1Cc1c(OC)cc3ccccc3c1-2.
What is the InChIKey of (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene?
The InChIKey is RNFZMVWCAQYXHC-OYKVQYDMSA-N. The full InChI is InChI=1S/C29H28O2/c1-30-26-16-20-8-3-5-12-22(20)28-24(26)14-18-10-7-11-19(18)15-25-27(31-2)17-21-9-4-6-13-23(21)29(25)28/h3-6,8-9,12-13,16-19H,7,10-11,14-15H2,1-2H3/t18-,19?/m0/s1.
What are the key properties of (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene?
(17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene has a molecular weight of 408.54 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (17S)-10,20-dimethoxyhexacyclo[17.8.0.02,11.03,8.013,17.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene is sourced from PubChem (CID 164682210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).