tetracyclo[6.6.2.22,7.19,14]nonadecane

C19H32 — CID 123381567

IUPACtetracyclo[6.6.2.22,7.19,14]nonadecane
SMILESC1CCC2CCC(C1)C1CCC2C2CCCCC1C2
InChIInChI=1S/C19H32/c1-2-6-15-10-9-14(5-1)18-11-12-19(15)17-8-4-3-7-16(18)13-17/h14-19H,1-13H2
InChIKeyMVWHTXVMCCAAON-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.81
Rot. Bonds

About tetracyclo[6.6.2.22,7.19,14]nonadecane

tetracyclo[6.6.2.22,7.19,14]nonadecane (PubChem CID 123381567) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is tetracyclo[6.6.2.22,7.19,14]nonadecane.

Molecular Properties

Compound Nametetracyclo[6.6.2.22,7.19,14]nonadecane
PubChem CID123381567
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nametetracyclo[6.6.2.22,7.19,14]nonadecane
SMILESC1CCC2CCC(C1)C1CCC2C2CCCCC1C2
InChIInChI=1S/C19H32/c1-2-6-15-10-9-14(5-1)18-11-12-19(15)17-8-4-3-7-16(18)13-17/h14-19H,1-13H2
InChIKeyMVWHTXVMCCAAON-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966
tricyclo[4.4.0.02,8]decane
CID 585864
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(4aS,8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170380
(8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170961
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
carbanide;dichlorozirconium(2+);pentacyclo[13.7.0.04,12.05,10.017,22]docosane
CID 162298653
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
(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
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805
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

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.2.22,7.19,14]nonadecane?
The IUPAC name of tetracyclo[6.6.2.22,7.19,14]nonadecane (CID 123381567) is tetracyclo[6.6.2.22,7.19,14]nonadecane.
What is the SMILES notation for tetracyclo[6.6.2.22,7.19,14]nonadecane?
The canonical SMILES for tetracyclo[6.6.2.22,7.19,14]nonadecane is C1CCC2CCC(C1)C1CCC2C2CCCCC1C2.
What is the InChIKey of tetracyclo[6.6.2.22,7.19,14]nonadecane?
The InChIKey is MVWHTXVMCCAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-2-6-15-10-9-14(5-1)18-11-12-19(15)17-8-4-3-7-16(18)13-17/h14-19H,1-13H2.
What are the key properties of tetracyclo[6.6.2.22,7.19,14]nonadecane?
tetracyclo[6.6.2.22,7.19,14]nonadecane has a molecular weight of 260.46 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.2.22,7.19,14]nonadecane is sourced from PubChem (CID 123381567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).