(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane

C28H26 — CID 174300171

IUPAC(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
SMILESCC1C2CC3C4C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C%16C1C23C4%16C5%15C6%14C7%13C8%12C%109%11
InChIInChI=1S/C28H26/c1-5-7-4-10-14-18-20-16-12-8-2-6-3-9-13-17-21-19-15-11(5)23(7,10)25(14,15)27(18,19)28(20,21)26(16,17)24(12,13)22(6,8)9/h5-21H,2-4H2,1H3
InChIKeyZWADMANZAZDLNK-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.77
Rot. Bonds

About (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane

(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane (PubChem CID 174300171) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane.

Molecular Properties

Compound Name(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
PubChem CID174300171
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
SMILESCC1C2CC3C4C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C%16C1C23C4%16C5%15C6%14C7%13C8%12C%109%11
InChIInChI=1S/C28H26/c1-5-7-4-10-14-18-20-16-12-8-2-6-3-9-13-17-21-19-15-11(5)23(7,10)25(14,15)27(18,19)28(20,21)26(16,17)24(12,13)22(6,8)9/h5-21H,2-4H2,1H3
InChIKeyZWADMANZAZDLNK-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane with MolForge

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Related Compounds

(22S,23S,24S,25S,26S,27S,28S,29S,30R,32R,33R,34R,35R,36R,37R)-tetratriacontacyclo[35.1.1.14,36.15,35.16,34.17,33.18,32.19,31.110,30.111,29.112,28.113,27.114,26.115,25.116,24.117,23.118,20.03,39.022,54.039,40.040,41.041,42.042,43.043,44.044,45.045,46.046,47.047,48.048,49.049,50.050,51.051,52.052,53.053,54]tetrapentacontane
CID 59330514
cyclobutane;icosacyclo[21.1.1.14,22.15,21.16,20.17,19.18,18.19,17.110,16.111,13.03,25.015,33.025,26.026,27.027,28.028,29.029,30.030,31.031,32.032,33]tritriacontane
CID 158465043
4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 144514053
pentadecacyclo[12.11.0.01,16.02,5.02,13.03,25.04,7.05,12.06,9.06,11.015,18.016,24.017,19.017,23.019,22]pentacosane
CID 174075049
10,12,16-trimethyloctacyclo[7.6.1.01,8.02,5.02,7.03,15.011,14.011,16]hexadecane
CID 143326459
N-chloromethanamine;methanethiol;octacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 142048716
3,4,25,26-tetraiodohexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane
CID 129027654
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
9-methylpentadecacyclo[12.10.0.01,4.02,11.02,13.03,8.03,10.04,7.05,22.05,24.06,21.015,24.016,23.018,23.019,22]tetracosane
CID 174319976
nonacyclo[6.4.0.01,6.02,5.02,11.03,8.03,10.04,7.09,12]dodecane
CID 101267008
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane?
The IUPAC name of (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane (CID 174300171) is (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane.
What is the SMILES notation for (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane?
The canonical SMILES for (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane is CC1C2CC3C4C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C%16C1C23C4%16C5%15C6%14C7%13C8%12C%109%11.
What is the InChIKey of (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane?
The InChIKey is ZWADMANZAZDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-5-7-4-10-14-18-20-16-12-8-2-6-3-9-13-17-21-19-15-11(5)23(7,10)25(14,15)27(18,19)28(20,21)26(16,17)24(12,13)22(6,8)9/h5-21H,2-4H2,1H3.
What are the key properties of (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane?
(8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane has a molecular weight of 362.52 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methylhexadecacyclo[13.11.1.01,14.02,5.02,13.03,26.04,7.05,12.06,9.06,11.016,19.017,24.017,27.018,21.018,23.025,27]heptacosane is sourced from PubChem (CID 174300171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).