ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane

C15H26 — CID 91205881

IUPACethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC.CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20.C2H6/c1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2/h7-13H,2-6H2,1H3;1-2H3
InChIKeyGRWKOOAFMJOZBP-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.35
Rot. Bonds

About ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane

ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 91205881) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Nameethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID91205881
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCC.CC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C13H20.C2H6/c1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2/h7-13H,2-6H2,1H3;1-2H3
InChIKeyGRWKOOAFMJOZBP-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.35
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

4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
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
4-tert-butyl-9-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 123907969
6,14-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 58944334
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
4,6-dimethylpentacyclo[8.6.1.12,5.013,17.08,18]octadecane
CID 90872999

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 91205881) is ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane is CC.CC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is GRWKOOAFMJOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6/c1-7-4-10-6-11(7)13-9-3-2-8(5-9)12(10)13;1-2/h7-13H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane?
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 206.37 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 91205881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).