6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane

C22H32 — CID 58944334

IUPAC6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
SMILESCC1CC2C(C1)C1CC2C2C3CC(C4C5CC(CC5C)C34)C12
InChIInChI=1S/C22H32/c1-9-3-13-14(4-9)16-7-15(13)21-17-8-18(22(16)21)20-12-6-11(19(17)20)5-10(12)2/h9-22H,3-8H2,1-2H3
InChIKeyYDSQGWRBWZHFQV-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.09
Rot. Bonds

About 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane

6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane (PubChem CID 58944334) has the molecular formula C22H32 and a molecular weight of 296.50 g/mol. Its IUPAC name is 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane.

Molecular Properties

Compound Name6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
PubChem CID58944334
Molecular FormulaC22H32
Molecular Weight296.50 g/mol
Exact Mass296.25
IUPAC Name6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
SMILESCC1CC2C(C1)C1CC2C2C3CC(C4C5CC(CC5C)C34)C12
InChIInChI=1S/C22H32/c1-9-3-13-14(4-9)16-7-15(13)21-17-8-18(22(16)21)20-12-6-11(19(17)20)5-10(12)2/h9-22H,3-8H2,1-2H3
InChIKeyYDSQGWRBWZHFQV-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane;4,11-dimethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane;4,9-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 159041892
2-methyl-5-[3-(3-methylcyclobutyl)-6-bicyclo[3.1.0]hexanyl]bicyclo[2.2.0]hexane
CID 152828720
[2-methyl-3-(10-methyl-4-tetracyclo[6.2.1.02,7.03,6]undecanyl)cyclobutyl]methanamine
CID 166924073
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
(3R)-4-methyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 166653902
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 123907969
3,6-dimethyltricyclo[3.3.0.02,8]octane
CID 123298522
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2-methyl-3-(2-methylcyclopropyl)bicyclo[2.1.0]pentane
CID 91187285
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213

Frequently Asked Questions

What is the IUPAC name of 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane?
The IUPAC name of 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane (CID 58944334) is 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane.
What is the SMILES notation for 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane?
The canonical SMILES for 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane is CC1CC2C(C1)C1CC2C2C3CC(C4C5CC(CC5C)C34)C12.
What is the InChIKey of 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane?
The InChIKey is YDSQGWRBWZHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32/c1-9-3-13-14(4-9)16-7-15(13)21-17-8-18(22(16)21)20-12-6-11(19(17)20)5-10(12)2/h9-22H,3-8H2,1-2H3.
What are the key properties of 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane?
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane has a molecular weight of 296.50 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane is sourced from PubChem (CID 58944334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).