12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane

C27H30 — CID 91266782

IUPAC12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
SMILESCC.CC.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21
InChIInChI=1S/C23H18.2C2H6/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyHHXMZTHNZWIHMT-UHFFFAOYSA-N
MW354.54 g/mol
LogP8.35
Rot. Bonds

About 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane (PubChem CID 91266782) has the molecular formula C27H30 and a molecular weight of 354.54 g/mol. Its IUPAC name is 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane.

Molecular Properties

Compound Name12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
PubChem CID91266782
Molecular FormulaC27H30
Molecular Weight354.54 g/mol
Exact Mass354.23
IUPAC Name12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
SMILESCC.CC.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21
InChIInChI=1S/C23H18.2C2H6/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyHHXMZTHNZWIHMT-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane with MolForge

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Related Compounds

12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane;ethene;methane;bis(prop-1-ene)
CID 145137691
6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 145162693
16,16-dimethylheptacyclo[15.12.0.02,15.04,13.06,11.019,28.020,25]nonacosa-1(17),2,4,6,8,10,12,14,18,20,22,24,26,28-tetradecaene;ethane
CID 90721632
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17,19,21,23,25(29),26-tetradecaene;ethane
CID 90827557
25,25-dimethylhexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;ethane
CID 91293060
11,11-dimethyl-2-(4-methylnaphthalen-1-yl)benzo[b]fluorene
CID 123864215
16,16-dimethylheptacyclo[15.11.1.02,15.04,13.06,11.018,23.025,29]nonacosa-1(28),2,4,6,8,10,12,14,17(29),18,20,22,24,26-tetradecaene;ethane
CID 90946644
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
11,11-dimethyl-3-(10-phenanthren-9-ylanthracen-9-yl)benzo[b]fluorene
CID 140724348

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane?
The IUPAC name of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane (CID 91266782) is 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane.
What is the SMILES notation for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane?
The canonical SMILES for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane is CC.CC.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.
What is the InChIKey of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane?
The InChIKey is HHXMZTHNZWIHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18.2C2H6/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;2*1-2/h3-14H,1-2H3;2*1-2H3.
What are the key properties of 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane?
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane has a molecular weight of 354.54 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane is sourced from PubChem (CID 91266782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).