heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane

C30H48 — CID 132990526

IUPACheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
SMILESC1CCCC2C3CCC4CCCC4C3C(CC1)C1CC3CC4CCCCC4C(C3)C21
InChIInChI=1S/C30H48/c1-2-4-12-25-28-18-19-16-21-8-5-6-10-22(21)27(17-19)30(28)24(11-3-1)26-15-14-20-9-7-13-23(20)29(25)26/h19-30H,1-18H2
InChIKeyZUXURBIIPXTHMY-UHFFFAOYSA-N
MW408.71 g/mol
LogP8.50
Rot. Bonds

About heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane

heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane (PubChem CID 132990526) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane.

Molecular Properties

Compound Nameheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
PubChem CID132990526
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Nameheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane
SMILESC1CCCC2C3CCC4CCCC4C3C(CC1)C1CC3CC4CCCCC4C(C3)C21
InChIInChI=1S/C30H48/c1-2-4-12-25-28-18-19-16-21-8-5-6-10-22(21)27(17-19)30(28)24(11-3-1)26-15-14-20-9-7-13-23(20)29(25)26/h19-30H,1-18H2
InChIKeyZUXURBIIPXTHMY-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosane
CID 162283113
9-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohexyl]-10-[6-(1,2,3,4,4a,4b,5,6,7,8,8a,8b-dodecahydrobiphenylen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 144809758
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane
CID 159041976
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
CID 167402176
tricyclo[4.4.0.02,8]decane
CID 585864
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;tetracyclo[6.2.1.13,6.02,7]dodecane;tricyclo[5.2.1.02,6]decane;tricyclo[6.2.1.02,7]undecane
CID 162061735
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
4-cyclohexyltricyclo[4.2.1.03,7]nonane
CID 23132013
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011

Frequently Asked Questions

What is the IUPAC name of heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane?
The IUPAC name of heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane (CID 132990526) is heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane.
What is the SMILES notation for heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane?
The canonical SMILES for heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane is C1CCCC2C3CCC4CCCC4C3C(CC1)C1CC3CC4CCCCC4C(C3)C21.
What is the InChIKey of heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane?
The InChIKey is ZUXURBIIPXTHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48/c1-2-4-12-25-28-18-19-16-21-8-5-6-10-22(21)27(17-19)30(28)24(11-3-1)26-15-14-20-9-7-13-23(20)29(25)26/h19-30H,1-18H2.
What are the key properties of heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane?
heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane has a molecular weight of 408.71 g/mol, XLogP of 8.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane is sourced from PubChem (CID 132990526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).