13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

C24H20O — CID 102516604

IUPAC13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESCC(C)C1c2ccc3ccccc3c2Oc2c1ccc1ccccc21
InChIInChI=1S/C24H20O/c1-15(2)22-20-13-11-16-7-3-5-9-18(16)23(20)25-24-19-10-6-4-8-17(19)12-14-21(22)24/h3-15,22H,1-2H3
InChIKeyNYMZWAYFSCPMLT-UHFFFAOYSA-N
MW324.42 g/mol
LogP6.89
Rot. Bonds1

About 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene

13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (PubChem CID 102516604) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.

Molecular Properties

Compound Name13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
PubChem CID102516604
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Name13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
SMILESCC(C)C1c2ccc3ccccc3c2Oc2c1ccc1ccccc21
InChIInChI=1S/C24H20O/c1-15(2)22-20-13-11-16-7-3-5-9-18(16)23(20)25-24-19-10-6-4-8-17(19)12-14-21(22)24/h3-15,22H,1-2H3
InChIKeyNYMZWAYFSCPMLT-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene with MolForge

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Related Compounds

(4S)-2-amino-4-propan-2-yl-4H-benzo[h]chromene-3-carbonitrile
CID 124891273
13-(3-methylphenyl)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 102516616
2-methylidene-1-propan-2-yl-1H-benzo[f]chromen-3-one
CID 70690575
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43537547
2-methylidene-3,4-dihydrobenzo[h]chromen-4-ol
CID 177433025
(1R,13R)-12,24-dioxa-25-azoniahexacyclo[11.11.1.02,11.05,10.014,23.017,22]pentacosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 11896403
2-methylidene-4-phenyl-3,4-dihydrobenzo[h]chromene
CID 59140304
4-chloro-3,4-dihydro-2H-benzo[h]chromen-3-ol
CID 100944396
13-naphthalen-1-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-8,18-diol
CID 171419008
(3S,4R)-2,2-dimethyl-3,4-dihydrobenzo[h]chromene-3,4-diol
CID 71348739
14-propan-2-yl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 130249976
9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
CID 175020806

Frequently Asked Questions

What is the IUPAC name of 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The IUPAC name of 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene (CID 102516604) is 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene.
What is the SMILES notation for 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The canonical SMILES for 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is CC(C)C1c2ccc3ccccc3c2Oc2c1ccc1ccccc21.
What is the InChIKey of 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
The InChIKey is NYMZWAYFSCPMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O/c1-15(2)22-20-13-11-16-7-3-5-9-18(16)23(20)25-24-19-10-6-4-8-17(19)12-14-21(22)24/h3-15,22H,1-2H3.
What are the key properties of 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene?
13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene has a molecular weight of 324.42 g/mol, XLogP of 6.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-propan-2-yl-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene is sourced from PubChem (CID 102516604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).