14-(2-propylcyclobutyl)-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

C30H30O2 — CID 146221075

IUPAC14-(2-propylcyclobutyl)-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
SMILESCCCC1CCC1C1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OC1
InChIInChI=1S/C30H30O2/c1-2-7-20-12-15-24(20)23-18-31-27-16-13-21-8-3-5-10-25(21)29(27)30-26-11-6-4-9-22(26)14-17-28(30)32-19-23/h3-6,8-11,13-14,16-17,20,23-24H,2,7,12,15,18-19H2,1H3
InChIKeyVYUXVPZCOYSBSI-UHFFFAOYSA-N
MW422.57 g/mol
LogP7.87
Rot. Bonds3

About 14-(2-propylcyclobutyl)-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

14-(2-propylcyclobutyl)-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 (PubChem CID 146221075) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 14-(2-propylcyclobutyl)-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.

Molecular Properties

Compound Name14-(2-propylcyclobutyl)-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
PubChem CID146221075
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name14-(2-propylcyclobutyl)-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
SMILESCCCC1CCC1C1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OC1
InChIInChI=1S/C30H30O2/c1-2-7-20-12-15-24(20)23-18-31-27-16-13-21-8-3-5-10-25(21)29(27)30-26-11-6-4-9-22(26)14-17-28(30)32-19-23/h3-6,8-11,13-14,16-17,20,23-24H,2,7,12,15,18-19H2,1H3
InChIKeyVYUXVPZCOYSBSI-UHFFFAOYSA-N
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-(2-propylcyclobutyl)-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 with MolForge

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Related Compounds

14-(2-chlorocyclobutyl)-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 146221086
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-decaen-14-amine
CID 139362841
14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.9.0.02,11.03,8.020,26]hexacosa-1(17),2(11),3,5,7,9,18,20(26),21,24-decaene
CID 123556849
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
14,14-dimethyl-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 59790961
12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
CID 101060260
12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite
CID 67424043
14-(2-ethylcyclopentyl)-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-13,15-dione
CID 146221039
5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 145288819
(13R,17R)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
CID 7081931
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 135351713

Frequently Asked Questions

What is the IUPAC name of 14-(2-propylcyclobutyl)-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?
The IUPAC name of 14-(2-propylcyclobutyl)-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 146221075) is 14-(2-propylcyclobutyl)-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.
What is the SMILES notation for 14-(2-propylcyclobutyl)-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?
The canonical SMILES for 14-(2-propylcyclobutyl)-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 is CCCC1CCC1C1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OC1.
What is the InChIKey of 14-(2-propylcyclobutyl)-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?
The InChIKey is VYUXVPZCOYSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-2-7-20-12-15-24(20)23-18-31-27-16-13-21-8-3-5-10-25(21)29(27)30-26-11-6-4-9-22(26)14-17-28(30)32-19-23/h3-6,8-11,13-14,16-17,20,23-24H,2,7,12,15,18-19H2,1H3.
What are the key properties of 14-(2-propylcyclobutyl)-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?
14-(2-propylcyclobutyl)-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 has a molecular weight of 422.57 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-propylcyclobutyl)-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 is sourced from PubChem (CID 146221075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).