11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

C27H16O2 — CID 164966033

IUPAC11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
SMILESCc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12
InChIInChI=1S/C27H16O2/c1-15-12-25-27(19-9-5-4-7-17(15)19)21-13-20-23(14-24(21)29-25)28-22-11-10-16-6-2-3-8-18(16)26(20)22/h2-14H,1H3
InChIKeyUNLKVUYQVXZHKX-UHFFFAOYSA-N
MW372.42 g/mol
LogP8.10
Rot. Bonds

About 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene (PubChem CID 164966033) has the molecular formula C27H16O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
PubChem CID164966033
Molecular FormulaC27H16O2
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
SMILESCc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12
InChIInChI=1S/C27H16O2/c1-15-12-25-27(19-9-5-4-7-17(15)19)21-13-20-23(14-24(21)29-25)28-22-11-10-16-6-2-3-8-18(16)26(20)22/h2-14H,1H3
InChIKeyUNLKVUYQVXZHKX-UHFFFAOYSA-N
XLogP8.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene with MolForge

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Related Compounds

14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaen-11-amine
CID 175749533
9,15-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59403826
21,21,42,42-tetramethyl-7,28-dioxaundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 126674040
9-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166918306
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190197
1-naphtho[2,1-b][1]benzofuran-9-ylethanone
CID 170226949
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
9-methyl-27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21,23,25-tetradecaene
CID 161172312
1-methylbenzo[e][1]benzofuran
CID 13085655

Frequently Asked Questions

What is the IUPAC name of 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene?
The IUPAC name of 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene (CID 164966033) is 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene is Cc1cc2oc3cc4oc5ccc6ccccc6c5c4cc3c2c2ccccc12.
What is the InChIKey of 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene?
The InChIKey is UNLKVUYQVXZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O2/c1-15-12-25-27(19-9-5-4-7-17(15)19)21-13-20-23(14-24(21)29-25)28-22-11-10-16-6-2-3-8-18(16)26(20)22/h2-14H,1H3.
What are the key properties of 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene?
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene has a molecular weight of 372.42 g/mol, XLogP of 8.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 164966033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).